Pseudopinene

Terebenthene

Pseudopinen

Terbenthene

Nopinene

Rosemarel

WTARULDDTDQWMU-UHFFFAOYSA-N

Nopinen

beta-Pinene homopolymer

beta pinene

BETA-PINENE

ss-Pinene

AC1Q2AIT

B-pinene

beta-Pinene resin

PINENE, BETA

AC1L24RF

I943

Piccolyte 115

.beta.-Pinene

beta-Pinene (natural)

P0441

6,6-Dimethyl-2-methylenenorpinane

CHEMBL501351

laevo-.beta.-Pinene

NSC21447

NSC59190

Beta Pinene 95 PF

Beta Pinene PF 85%

Beta Pinene PF 95%

Beta Pinene T 85%

Beta Pinene T 95%

C09882

HSDB 5615

AK113983

BT000141

DTXSID7027049

Jsp001748

L-.beta.-Pinene

LS-3052

NSC406265

OR025387

OR211823

OR213994

SBB061306

CHEBI:50025

DSSTox_CID_7049

( inverted exclamation markA)-b-pinene

6,6-dimethyl-2-methylene-norpinane

AB1006761

AN-18767

AN-23009

DSSTox_GSID_27049

EBD2156726

NSC 21447

NSC-21447

NSC-59190

SC-48739

D-alpha-PINENE, 95%

DSSTox_RID_78293

2(10)-Pinene

AI3-24483

NSC-406265

ST50330587

AKOS004119987

(-)-b-Pinene

4CH-024531

FEMA No. 2903

FT-0604382

FT-0622936

I14-45220

Pin-2(10)-ene

Tox21_200029

127-91-3

9081-94-1

NCGC00248498-01

NCGC00257583-01

(-)-.beta.-Pinene

CAS-127-91-3

EINECS 204-872-5

EINECS 245-424-9

25719-60-2

37203-45-5

39475-62-2

50922-56-0

51273-99-5

55963-81-0

55963-82-1

59828-47-6

59828-48-7

60976-31-0

211108-08-6

(+)-I(2)-Pinene

MolPort-004-956-468

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane

6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane

(1S)-(-)-b-Pinene

(-)-2(10)-Pinene

Bicyclo[3.1.1]heptane,6-dimethyl-2-methylene-

2,6-Trimethylbicyclo[3.1.1]hept-2-ene

6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane

(-)-Pin-2(10)-ene

.beta.-Pinene-(1S)-(-)

(1S)-(-)-.beta.-Pinene

(1S,5S)-2-(10)-Pinene

2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene

Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-

(1)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane

BICYCLO(3.1.1)HEPTANE, 6,6-DIMETHYL-2-METHYLENE-, HOMOPOLYMER

(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1] heptane

6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane-, (S)-

2(10)-Pinene, (1S,5S)-(-)-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-

Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-

2(10)-Pinene; 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane; Pin-2(10)-ene

The Henry's Law constant for beta-pinene is estimated as 0.16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that beta-pinene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). beta-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 340 days when adsorption is considered(3). beta-Pinene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.93 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

ALMOST INSOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Soluble in benzene, ethanol and ethyl ether
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-436
Literature: #Soluble in alcohol and chloroform
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1283
Literature: #In water, 4.89 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Sept 24, 2008: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.
Literature: The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.

Hexylcyclohexane

QHWAQXOSHHKCFK-UHFFFAOYSA-N

n-Hexylcyclohexane

1-Hexylcyclohexane

3-hexylcyclohexane

1-CYCLOHEXYLHEXANE

ACMC-1AIIK

AC1L2FY1

Cyclohexane, hexyl-

Cyclohexane, n-hexyl-

NSC95433

Hexane, 1-cyclohexyl-

LP002687

DTXSID7063398

ZINC1615765

CJ-26096

ANW-75643

KB-52441

ACM4292755

NSC 95433

NSC-95433

ZINC01615765

C-58108

MFCD00019403

TC-164388

DB-050993

AKOS024332813

FT-0627060

I14-101564

MCULE-5596413302

4292-75-5

4456-99-9

Hexane, 1-cyclohexyl- (8CI)

EINECS 224-294-7

MolPort-003-910-437

InChI=1/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H

Octylcyclohexane

n-Octylcyclohexane

FBXWCEKQCVOOLT-UHFFFAOYSA-N

1-CYCLOHEXYLOCTANE

AC1L26GR

Cyclohexane, octyl-

ACMC-209efq

O0138

CTK0H9181

Cyclohexane, n-octyl-

Octane, 1-cyclohexyl-

NSC174942

LP001929

DTXSID3061972

ZINC1716101

ANW-22980

MFCD00039464

C-51027

TC-111725

DB-044367

NSC 174942

NSC-174942

AKOS030574082

FT-0633843

I14-91675

1795-15-9

Octane, 1-cyclohexyl- (8CI)

EINECS 217-271-8

Nonylcyclohexane

N-NONYLCYCLOHEXANE

CLMFECCMAVQYQA-UHFFFAOYSA-N

CLMFECCMAVQYQA-UHFFFAOYSA-

1-Cyclohexylnonane

Cyclohexane, nonyl-

AC1L2AX2

N0379

DTXSID5062685

LP001937

ACMC-2097c7

ZINC2522715

ANW-13781

C-46337

MFCD00058955

TC-102526

I14-106789

2883-02-5

EINECS 220-739-4

InChI=1/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3

chloranylbenzene

Monochloorbenzeen

Monochlorbenzene

Monochlorobenzene

Monochlorobenzol

Monoclorobenzene

Monochlorbenzol

Chloorbenzeen

Chlorbenzene

Chlorobenzen

CHLOROBENZENE

Chlorobenzenu

Chlorobenzol

Clorobenzene

Chlorbenzol

Chlorinated benzenes

Chlorobenzene Mono

MVPPADPHJFYWMZ-UHFFFAOYSA-N

Benzene chloride

Chlorobenzene, analytical standard

Phenyl chloride

chloro benzene

chloro-benzene

PhCl

Benzene, chlorinated

MCB

Tetrosin SP

1-chlorobenzene

3-chlorobenzene

4-chlorobenzene

CHLOROBENZENE, ACS

8CL

AC1L1PYI

Chlorobenzene, HPLC Grade

Monochloorbenzeen [Dutch]

Monoclorobenzene [Italian]

Benzene,chloro-

Monochlorbenzol [German]

Chloorbenzeen [Dutch]

Chlorobenzen [Polish]

CHLOROBENZENE- D5

Chlorobenzene, pharmaceutical secondary standard; traceable to USP

Chlorobenzenu [Czech]

Clorobenzene [Italian]

4-chloro-benzene

Abluton T30

Chlorobenzene, mono-

ACMC-1BUC8

SCHEMBL2044

Benzene, chloro-

HSDB 55

PHENYL, CHLORO-

WLN: GR

Benzene, chloro derivs.

CHEMBL16200

CP 27

LS-18

NSC8433

UN1134

C1948

S0645

X5840

BIDD:ER0289

RP19079

bmse001030

C06990

CCRIS 1357

DSSTox_CID_298

K18102WN1G

ZINC896527

Chlorobenzene, LR, >=99%

DTXSID4020298

IP Carrier T 40

NSC 8433

NSC-8433

OR000352

OR204438

OR260870

OR260871

OR327460

SBB040899

STL282731

UN 1134

ZB015093

A801940

CHEBI:28097

NCI-C54886

PHENYL, 2-CHLORO-

PHENYL, 3-CHLORO-

UNII-K18102WN1G

AN-42914

ANW-15992

Caswell No. 183A

DSSTox_GSID_20298

KB-76052

SC-22605

TRA0015176

TRA0100646

DSSTox_RID_75497

MFCD00000530

ZINC00896527

AI3-07776

Chlorobenzene, anhydrous, 99.8%

Chlorobenzene, ReagentPlus(R), 99%

I P Carrier T 40

RTR-002006

ST50214500

TR-002006

AKOS000120122

EPA Pesticide Chemical Code 056504

I01-1941

J-002203

J-520025

RCRA waste no. U037

Chlorobenzene, ACS reagent, >=99.5%

Chlorobenzene, AR, >=99.5%

FT-0615503

FT-0623633

FT-0652436

FT-0657623

Chlorobenzene, UV HPLC spectroscopic, 99.5%

Chlorobenzene, SAJ special grade, >=99.5%

Tox21_201223

108-90-7

Chlorobenzene, for HPLC, 99.9%

Chlorobenzene, SAJ first grade, >=99.0%

F0001-0183

Chlorobenzene [UN1134] [Flammable liquid]

CHLOROBENZENE,99.5%,EXTRA DRY OVER MOLECULAR SIEVE,ACROSEAL(R)

MCULE-2469021740

NCGC00091678-01

NCGC00091678-02

NCGC00258775-01

CAS-108-90-7

EINECS 203-628-5

EINECS 270-127-6

50717-45-8

68411-45-0

Chlorobenzene [UN1134] [Flammable liquid]

EC 203-628-5

Chlorobenzene, p.a., 99.5%

5773-EP2269986A1

5773-EP2269990A1

5773-EP2269995A1

5773-EP2270004A1

5773-EP2270101A1

5773-EP2270113A1

5773-EP2272813A2

5773-EP2272832A1

5773-EP2272849A1

5773-EP2272935A1

5773-EP2274983A1

5773-EP2275395A2

5773-EP2275403A1

5773-EP2275407A1

5773-EP2275409A1

5773-EP2275411A2

5773-EP2275469A1

5773-EP2279750A1

5773-EP2280001A1

5773-EP2280005A1

5773-EP2281817A1

5773-EP2281821A1

5773-EP2284165A1

5773-EP2284174A1

5773-EP2286811A1

5773-EP2287155A1

5773-EP2287167A1

5773-EP2287940A1

5773-EP2289509A2

5773-EP2289868A1

5773-EP2289884A1

5773-EP2289890A1

5773-EP2289965A1

5773-EP2292592A1

5773-EP2292597A1

5773-EP2292606A1

5773-EP2295414A1

5773-EP2295425A1

5773-EP2295426A1

5773-EP2295427A1

5773-EP2298729A1

5773-EP2298735A1

5773-EP2298745A1

5773-EP2298746A1

5773-EP2298755A1

5773-EP2298756A1

5773-EP2298763A1

5773-EP2298768A1

5773-EP2298770A1

5773-EP2298828A1

5773-EP2301918A1

5773-EP2301924A1

5773-EP2301934A1

5773-EP2301983A1

5773-EP2305649A1

5773-EP2305658A1

5773-EP2305667A2

5773-EP2305673A1

5773-EP2305675A1

5773-EP2305682A1

5773-EP2308838A1

5773-EP2308849A1

5773-EP2308850A1

5773-EP2308857A1

5773-EP2308879A1

5773-EP2308882A1

5773-EP2308926A1

5773-EP2309564A1

5773-EP2309584A1

5773-EP2311804A2

5773-EP2311808A1

5773-EP2311809A1

5773-EP2311811A1

5773-EP2311813A1

5773-EP2311829A1

5773-EP2311834A1

5773-EP2314558A1

5773-EP2314574A1

5773-EP2314577A1

5773-EP2314581A1

5773-EP2371808A1

5773-EP2371831A1

5773-EP2374783A1

5773-EP2374895A1

5773-EP2377610A2

5773-EP2377611A2

5773-EP2377841A1

5773-EP2380568A1

MolPort-000-872-062

37376-EP2311802A1

37376-EP2311803A1

77825-EP2272846A1

77825-EP2277868A1

77825-EP2277869A1

77825-EP2277870A1

77825-EP2284166A1

77825-EP2292608A1

77825-EP2295436A1

77825-EP2298749A1

77825-EP2298769A1

77825-EP2308866A1

77825-EP2371806A1

77825-EP2371807A1

77825-EP2374784A1

77825-EP2374785A1

Chlorobenzene, anhydrous, ZerO2(TM), 99.8%

152544-EP2269986A1

152544-EP2289896A1

152544-EP2289897A1

152544-EP2371831A1

Chlorobenzene, ACS, 99.5% min. 500ml

Chlorobenzene, puriss. p.a., ACS reagent, >=99.5% (GC)

InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5

Chlorobenzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)

The measured Henry's Law constant for chlorobenzene is 3.11X10-3 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that chlorobenzene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.3 days(SRC). Chlorobenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Chlorobenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 12 mm Hg(3). Chlorobenzene applied to soil at a uniform concentration of 1 kg/ha at depths of 1 cm and 10 cm underwent 86.5 and 23.4% loss, respectively, in a day; volatilization half-lives of 0.3 and 12.6 days, respectively, were estimated from this data(4). Volatilization half-lives of 13, 21, and 4.6 days were estimated for chlorobenzene using data obtained from an experimental marine mesocosm under simulated winter, spring, and summer conditions, respectively(5). Chlorobenzene was removed within 8 days in sterile pond water incubated in bottles open to the atmosphere(6). Volatilization rates of chlorobenzene from the wastewater-dependent constructed Tres Rios Demonstration Wetlands near Phoenix, AZ ranged from 5.11X10-6 to 8.48X10-6 sec-1, corresponding to a half-life of approximately 9 hours(7). In a closed aerated laboratory system simulating arable soil exposed to 14-C radio-labeled chlorobenzene, analysis of trapped 14-CO2 and 14-C chlorobenzene gas indicated that volatilization was the main loss mechanism with mineralization having minor importance(8).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 27-30 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., New York, NY: Hemisphere Pub Corp, Vol 3 (1987) (4) Jury WA et al; J Environ Qual 13: 572-9 (1984) (5) Wakeham SG et al; Environ Sci Technol 17: 611-7 (1983) (6) Bouwer EJ; J Environ Eng 115: 741-55 (1989) (7) Keefe SH et al; Environ Sci Technol 38: 2209-26 (2004) (8) Brahushi F et al; Fresenius Environmental Bulletin 11(9a): 599-604 (2002)

Koc values of 313.1 and 146.5 were measured on Captina silt loam (1.49% organic carbon) and McLaurin sandy loam, (0.66% organic carbon), respectively(1). Equilibrium sorption constant (Ks) values of 0.295 and 0.09 were determined in Eustis fine sand (13 g/kg clay, 32 g/kg silt, 955 g/kg sand, 3.9 g/kg organic carbon) and Tampa (6 g/kg clay, 23 g/kg silt, 971 g/kg sand, and 1.3 g/kg organic carbon) soils, respectively(2); corresponding Koc values are 76 and 69(SRC). Equilibrium sorption coefficients of 0.014 and 10.20 were measured on Borden (98% sand, 1% silt, 1% clay, 0.29% organic carbon) and Mt. Lemmon (60.3% sand, 24.0% silt, 15.7% clay, 12.6% organic carbon) soils, respectively(3); corresponding Koc values are 4.8 and 81(SRC). According to a classification scheme(4), these Koc values suggest that chlorobenzene is expected to have moderate to very high mobility in soil(SRC). The sorption isotherm for chlorobenzene onto muck soil (49.0% organic carbon) was linear(5). A Kd value of 166.34 was measured for chlorobenzene using dewatered activated sludge (18% solids) that had been dried and sieved; 3.28% of the chlorobenzene was desorbed during the desorption phase of the experiment(6). Partition coefficients of 0.35, 0.33, and 0.38 were measured for chlorobenzene on primary sludge, mixed liquor solids, and digested sludge, respectively(7). Sorption coefficients of 0.48 and 0.29 were measured on primary sludge and anaerobically digested sludge, respectively(8). Partition coefficients of 48 and 29 were measured in high organic carbon (14.5%) and low organic carbon (3.6%) Sherman Island sediments, respectively(9).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-8 (1992) (2) Brusseau ML; Environ Toxicol Chem 12: 1835-46 (1993) (3) Hu Q et al; Environ Toxicol Chem 14: 1133-40 (1995) (4) Swann RL et al; Res Rev 85: 23 (1983) (5) Sheng G et al; Environ Sci Technol 30: 1553-7 (1996) (6) Selvakumar A, Hsieh HN; Int J Environ Stud 30: 313-9 (1987) (7) Dobbs RA et al; Int Conf Innovative Biol Treat Toxic Wastewaters; Scholze, RJ Jr, eds; pp 585-601 (1987) (8) Dobbs RA et al; Environ Sci Technol 23: 1092-7 (1989) (9) Knezovich JP, Harrison FL; Ecotoxicol Environ Safety 15: 226-41 (1988)

OCTADECANE

Octadecan

Oktadekan

RZJRJXONCZWCBN-UHFFFAOYSA-N

Octadecane, analytical standard

stearyl group

n-Octadecane

ACMC-1ASVK

AC1L1XS9

N102P6HAIU

KSC273C7B

UNII-N102P6HAIU

NSC4201

Octadecane, 99%

Octadecane, n-

6494AF

C18H38

S0290

CTK1H3170

O0003

CCRIS 681

UNII-CI87N1IM01 component RZJRJXONCZWCBN-UHFFFAOYSA-N

UNII-J3N6X3YK96 component RZJRJXONCZWCBN-UHFFFAOYSA-N

HSDB 8348

n-OCTADECANE, 97%

LP085908

NSC 4201

NSC-4201

LP007710

SBB061159

DTXSID9047172

CHEBI:32926

SC-81162

AN-21552

ANW-42117

TRA0008902

KB-79522

ZINC59592152

MFCD00009007

LMFA11000581

RTR-020597

AI3-06523

ST51047213

TR-020597

UNII-33822S0M40 component RZJRJXONCZWCBN-UHFFFAOYSA-N

AKOS015903064

I14-19275

593-45-3

MCULE-2392852814

n-Octadecane, technical, 90% 1kg

EINECS 209-790-3

CH3-[CH2]16-CH3

EC 209-790-3

MolPort-002-485-390

Octadecane, purum, >=97.0% (GC)

379E5588-B955-4C35-88E0-21E7DF38DE0E

InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H

The Henry's Law constant for octadecane is estimated as 1.9X10-2 atm-cu m/mole(1) from its vapor pressure, 3.41X10-4 mm Hg(2), and water solubility, 6.0X10-3 mg/L(3). This Henry's Law constant indicates that octadecane is expected to volatilize rapidly from water surfaces(4). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(1) is estimated as 1.7 hours hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(1) is estimated as 6.3 days(SRC). However, adsorption to suspended solids and sediment is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(5). Octadecane has a vapor pressure of 3.41X10-4 mm Hg and exists as a liquid under environmental conditions; therefore, octadecane may volatilize from dry soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 9, 2016: http://www2.epa.gov/tsca-screening-tools (2) Jensen TS; PhD Thesis: Petroleum hydrocarbons: compositional changes during biodegradation and transport in unsaturated soil. Roskilde, Denmark: Ministry of the Environment and Energy, National Environmental Research (1994) (3) Yalkowsky SH, et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 1184 (2010) (4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (5) US EPA; EXAMS II Computer Simulation (1987)

The Koc of octadecane is 2.2X10+7(1). According to a classification scheme(2), this Koc value suggests that octadecane is expected to be immobile in soil.
Literature: (1) Jensen TS; PhD Thesis: Petroleum hydrocarbons: compositional changes during biodegradation and transport in unsaturated soil. Roskilde, Denmark: Ministry of the Environment and Energy, National Environmental Research (1994) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

isobutylbromide

Bromoisobutane

sJPHAbIKUP@

HLVFKOKELQSXIQ-UHFFFAOYSA-N

isobutyl-bromide

ISOBUTYL BROMIDE

2-methylbromopropane

2-methylpropylbromide

iso-butylbromide

i-butylbromide

2-methyl bromopropane

2-methylpropyl bromide

iso-Butyl bromide

AC1L1MSG

ACMC-1BLAD

i-Butyl bromide

BrCH2CHMe2;

AC1Q27JY

SCHEMBL7399

l-bromo-2-methylpropane

iso-C4H9Br

AC1Q1P25

KSC377A7R

2-methyl-1-bromopropane

1-Bromo-2-methylpropane

NSC8416

3-bromo-2-methylpropane

A9430

B0616

CCRIS 349

CTK2H7078

5OEC0BW987

CHEMBL346532

RP20323

UNII-5OEC0BW987

OR262696

NSC 8416

NSC-8416

OR034172

1-bromo-2-methyl propane

SBB059932

STL264117

UN 2342

WLN: E1Y1&1

1 -bromo-2-methylpropane

1-Bromo-2-methyl-propane

DTXSID1052539

ZINC1586727

CJ-25284

TRA0041920

SC-16381

AN-23958

ANW-37218

DSSTox_GSID_52539

KB-64977

EBD2638203

ZINC01586727

MFCD00000217

BB_SC-6824

DSSTox_CID_31112

RTC-030984

TC-030984

ST51046199

AI3-18130

LS-119649

I14-0216

J-504405

AKOS000118762

FT-0607463

FT-0627385

FT-0085081

78-77-3

Propane, 1-bromo-2-methyl-

1-Bromo-2-methylpropane, 99%

Tox21_303878

F1908-0100

I14-108090

CAS-78-77-3

MCULE-6039420480

NCGC00357138-01

EINECS 201-141-2

ETHYL, 2-BROMO-1,1-DIMETHYL-

MolPort-001-779-904

1-Bromo-2-methylpropane, 98% 250g

InChI=1/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H

Methylmethane

Bimethyl

Dimethyl

Ethylidyne radical

OTMSDBZUPAUEDD-UHFFFAOYSA-N

Aethan

ETHANE

Liquid overheads

Ethan

Ethyl hydride

EHN

Ethyl Group

OET

Ethane, refrigerated liquid

C2H6

AC1L1M9X

AC1NV00X

AC1Q1J23

CH3-CH2

CH3-CH3

OR8295

UN1035

UN1961

CTK1A6393

Ethane, >=99%

HSDB 941

CHEMBL135626

L99N5N533T

R-170

DTXSID6026377

OR079731

OR079760

OR336838

UN 1035

UN 1961

Alkanes, C2-3

CHEBI:42266

S-6468

UNII-L99N5N533T

BR-44176

LS-65178

MFCD00009023

AKOS015915921

Ethane, 99.99%

FT-0603474

FT-0603689

FT-0624954

FT-0625723

FT-0626343

FT-0627643

74-84-0

I14-54140

MCULE-8677953674

EINECS 200-814-8

EINECS 270-651-5

EINECS 271-734-9

68475-58-1

Ethane [UN1035] [Flammable gas]

1,1,1,2,2,2-Ethanehexaylradical

5849-EP2269978A2

5849-EP2269985A2

5849-EP2269990A1

5849-EP2269991A2

5849-EP2269992A1

5849-EP2270003A1

5849-EP2270004A1

5849-EP2270006A1

5849-EP2272491A1

5849-EP2272517A1

5849-EP2272839A1

5849-EP2272840A1

5849-EP2275412A1

5849-EP2277867A2

5849-EP2280003A2

5849-EP2280006A1

5849-EP2280010A2

5849-EP2284150A2

5849-EP2284151A2

5849-EP2284152A2

5849-EP2284153A2

5849-EP2284155A2

5849-EP2284156A2

5849-EP2284164A2

5849-EP2284169A1

5849-EP2287140A2

5849-EP2287148A2

5849-EP2287150A2

5849-EP2287158A1

5849-EP2287161A1

5849-EP2287162A1

5849-EP2287167A1

5849-EP2292606A1

5849-EP2295402A2

5849-EP2295419A2

5849-EP2295426A1

5849-EP2295427A1

5849-EP2295437A1

5849-EP2298734A2

5849-EP2298746A1

5849-EP2298755A1

5849-EP2298766A1

5849-EP2298767A1

5849-EP2298770A1

5849-EP2298774A1

5849-EP2298775A1

5849-EP2301940A1

5849-EP2305637A2

5849-EP2305655A2

5849-EP2305671A1

5849-EP2308833A2

5849-EP2308844A2

5849-EP2308845A2

5849-EP2308846A2

5849-EP2308873A1

5849-EP2308875A1

5849-EP2311806A2

5849-EP2311808A1

5849-EP2311829A1

5849-EP2311830A1

5849-EP2311831A1

5849-EP2311834A1

5849-EP2311841A1

5849-EP2311842A2

5849-EP2314295A1

5849-EP2314574A1

5849-EP2314582A1

5849-EP2314584A1

5849-EP2314587A1

5849-EP2314588A1

5849-EP2316459A1

5849-EP2316836A1

7509-EP2269988A2

7509-EP2270008A1

7509-EP2275413A1

7509-EP2275417A2

7509-EP2277622A1

7509-EP2277876A1

7509-EP2277878A1

7509-EP2284162A2

7509-EP2284163A2

7509-EP2287156A1

7509-EP2287163A1

7509-EP2292593A2

7509-EP2292614A1

7509-EP2292617A1

7509-EP2301918A1

7509-EP2301940A1

7509-EP2305668A1

7509-EP2305671A1

7509-EP2305678A1

7509-EP2305683A1

7509-EP2308880A1

7509-EP2311807A1

7509-EP2311817A1

7509-EP2311839A1

7509-EP2314588A1

7509-EP2314589A1

7509-EP2316832A1

7509-EP2316833A1

7509-EP2316837A1

7509-EP2374526A1

7509-EP2380661A2

Ethane, >=99.95% (GC)

MolPort-001-770-633

39109-EP2279741A2

39109-EP2305644A1

39109-EP2311830A1

40206-EP2270004A1

40206-EP2270010A1

40206-EP2272846A1

40206-EP2275422A1

40206-EP2292088A1

40206-EP2295412A1

40206-EP2295413A1

40206-EP2308866A1

40206-EP2308883A1

40206-EP2311830A1

40206-EP2374454A1

96129-EP2269992A1

96129-EP2305644A1

Ethane, refrigerated liquid [UN1961] [Flammable gas]

InChI=1/C2H6/c1-2/h1-2H

Ethane [UN1035] [Flammable gas]

Ethane, Messer(R) CANGas, 99.95%

Ethane, refrigerated liquid [UN1961] [Flammable gas]

B89E451F-F83E-471B-8B27-36FC23EF5CA1

Ethane is a gas and therefore volatilization from soil and water is expected to be the most important fate process. The Henry's Law constant for ethane is estimated as 0.5 atm-cu m/mole(SRC) derived from its vapor pressure, 3.15X10+4 mm Hg(1), and water solubility, 60.2 mg/L(2). This Henry's Law constant indicates that ethane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 1.6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 2.2 days(SRC). Ethane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Volatilization of ethane from dry soil surfaces will occur(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) McAuliffe C; J Phys Chem 70: 1267-75 (1966) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of ethane is estimated as 37(SRC), using a log Kow of 1.81(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethane is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 4 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of November 18, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Propylidyneradical

Dimethylmethane

Propyldihydride

ATUOYWHBWRKTHZ-UHFFFAOYSA-N

Propane liquefied

TRIMETHYLENE GROUP

propan

PROPANE

Splitter butane

Propyl hydride

C3 hydrocarbons

FCC Propane-propylene stream

n-Propane

Propane or propane mixtures

1-methylethyl

AC1L1MAR

AC1O5ENX

Propane, propene fraction

Petroleum gas, liquefied

Propane, propylene mix

AC1Q2RL3

n-Propane-

Propane, propylene after caustic wash

Propane-propylene from catalytic cracking (petroleum)

AC1O5E92

E944

CF0048

Hydrocarbon Propellant A-108

Hydrocarbons, C10-linear

Propane, tank for propane torch

UN1978

CTK2H8154

Freon 290

Propane (NF)

Propane, 98%

QSPL 135

Aliph. hydrocarbons, C3

CHEMBL135416

HC 290

Hydrocarbons, C6-3O

A-108

C18-70 Isoparaffin

C20783

D05625

HSDB 1672

R 290

CH3-CH2-CH3

DTXSID5026386

OR034681

OR079730

OR079759

OR239749

OR260437

OR327493

OR328991

Polymeric sialosie, P0.1

UN 1978

CHEBI:32879

Hydrocarbons, C6-30

T75W9911L6

LS-119616

UNII-T75W9911L6

AKOS009159189

Alkanes, C18-70

I14-5955

I14-9542

Propane, 99.97%

FT-0609754

FT-0618636

FT-0660442

Hydrocarbons, C3 and C3-unsatd.

74-98-6

(C18-C70) Paraffins

Mixed (C1-C3) gases from debutanizer

Hydrocarbons, C2-4, C3-rich

EINECS 200-827-9

EINECS 270-689-2

EINECS 271-259-7

EINECS 271-735-4

EINECS 272-913-4

EINECS 274-000-6

EINECS 275-017-1

68476-49-3

68476-51-7

68920-07-0

69430-33-7

70913-86-9

91052-96-9

427-EP2270895A2

427-EP2275417A2

427-EP2277861A1

427-EP2278637A1

427-EP2281812A1

427-EP2281819A1

427-EP2281821A1

427-EP2284162A2

427-EP2284163A2

427-EP2292630A1

427-EP2295438A1

427-EP2295503A1

427-EP2301918A1

427-EP2305243A1

427-EP2305683A1

427-EP2305687A1

427-EP2311806A2

427-EP2311839A1

427-EP2314589A1

427-EP2316470A2

427-EP2316837A1

427-EP2377845A1

427-EP2380568A1

427-EP2380661A2

28680-EP2279741A2

28680-EP2308843A1

28680-EP2314579A1

29038-EP2305644A1

29038-EP2311842A2

78036-EP2272846A1

78036-EP2277868A1

78036-EP2277869A1

78036-EP2277870A1

78036-EP2292608A1

78036-EP2298076A1

78036-EP2298077A1

78036-EP2301353A1

78036-EP2305031A1

78036-EP2305034A1

78036-EP2305035A1

78036-EP2308866A1

Propane or propane mixtures [UN1978] [Flammable gas]

Propane, 99.95%, Messer(R) CANGas

Propane or propane mixtures [UN1978] [Flammable gas]

InChI=1/C3H8/c1-3-2/h3H2,1-2H

[1 1'-BICYCLOHEXYL]-4-CARBOXALDEHYDE 4'-PROPYL- (TRANS TRANS)-

1DDB43B7-5E0D-48E4-8F15-3D3D5116098A

The Henry's Law constant for propane is estimated as 7.07X10-1 atm-cu m/mole(SRC) derived from its vapor pressure, 7150 mm Hg(1), and water solubility, 62.4 mg/L(2). This Henry's Law constant indicates that propane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 41 minutes(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 2.6 days(SRC). Propane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of propane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 77 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of propane is estimated as 460(SRC), using a log Kow of 2.36(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propane is expected to have moderate mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. nn (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

BKIMMITUMNQMOS-UHFFFAOYSA-N

NONANE

OyEEIe

nonan

Nonyl hydride

nonyl group

Nonane, analytical standard

AC1L1QCW

AC1Q2VWN

DD9

n-Nonane

n-nonyl radical

Fluorochemical surfactant, Zwitterionic / non-ionic

Heptane, ethyl-

KSC181E3H

Shellsol 140

CTK0I1233

HSDB 107

N0286

S0281

T9W3VH6G10

ACMC-2099ay

CHEMBL335900

Fluorochemical surfactant, anionic / non-ionic

LS-541

n-C9H20

Nonane, 99%

NSC72430

CCRIS 6081

LTBB002319

UNII-T9W3VH6G10

DTXSID9025796

Jsp000889

LP004031

LP067689

Nonane, anhydrous, >=99%

UN 1920

A802420

CHEBI:32892

DSSTox_CID_5796

ZINC1698517

ANW-16328

DSSTox_GSID_25796

NONANE MFC9 H20

NSC 72430

NSC-72430

SC-96410

TRA0006056

DSSTox_RID_77926

LMFA11000579

MFCD00009574

MFCD02099450

DB-041010

RTR-002319

TR-002319

AKOS015904046

W-108667

FT-0626750

FT-0631631

I14-17869

Nonane, ReagentPlus(R), 99%

Tox21_201479

Tox21_303148

111-84-2

CH3-[CH2]7-CH3

MCULE-1865327912

NCGC00091787-01

NCGC00091787-02

NCGC00257029-01

NCGC00259030-01

CAS-111-84-2

EINECS 203-913-4

32757-65-6

61193-19-9

66039-00-7

n-Nonane, 99% 100ml

MolPort-003-929-477

15417-EP2275407A1

15417-EP2275469A1

15417-EP2287940A1

15417-EP2289965A1

15417-EP2298828A1

15417-EP2301983A1

15417-EP2305683A1

15417-EP2308926A1

15417-EP2309564A1

15417-EP2311839A1

15417-EP2314589A1

15417-EP2316837A1

72705-EP2269986A1

72705-EP2277871A1

72705-EP2289509A2

72705-EP2292576A2

72705-EP2308492A1

72705-EP2371811A2

72705-EP2380568A1

178017-EP2277868A1

178017-EP2277869A1

178017-EP2277870A1

C8F3CAB9-DAF5-4085-84EB-07C0AB04D3A1

InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H

The Henry's Law constant for n-nonane is estimated as 3.4 atm-cu m/mole(SRC) derived from its vapor pressure, 4.45 mm Hg(1), and water solubility, 22 mg/L)(2). This Henry's Law constant indicates that n-nonane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 155 days if adsorption is considered(4). n-Nonane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of n-nonane from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Riddick JA et al; Techniques of Chemistry. 4th ed. Volume II. Organic Solvents. New York, NY: John Wiley and Sons (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

The Koc of n-nonane is estimated as 8.0X10+4(SRC), using a log Kow of 5.65(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-nonane is expected to be immobile in soil. Freundlich absorption coefficients of log 4.50 and log 4.01 were measured in Oberlausitz lignite (11.1% moisture content; 53.5 wt% carbon content; 0.6 wt % nitrogen content) and Pahokee peat soil (10.2% moisture content; 46.1 wt% carbon content; 3.3 wt % nitrogen content), respectively(4).
Literature: (1) Sangster J; LOGKOW Database. A databank of evaluated octanol-water partition coefficients (Log P). Available from, as of Oct 30, 2013: http://logkow.cisti.nrc.ca/logkow/search.html (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Oct 30, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Endo S et al; Environ Sci Technol 42): 5897-5903 (2008)

Duodecane

DODECANE

SNRUBQQJIBEYMU-UHFFFAOYSA-N

Dihexyl

lauryl

dodecan

Bihexyl

Dodekan

Dodecane, analytical standard

N-Dodecan

n-Dodecane

Normal Paraffin M

D12

AC1L1QG7

Adakane 12

Undecane, methyl-

Norpar 13

U215

KSC175C3D

NSC8714

CHEMBL30959

Dodecane, 99%

CCRIS 661

S0284

CTK0H5131

D0968

n-Dodecan [German]

HSDB 5133

Dodecane, certified reference material, TraceCERT(R)

Dodecane, anhydrous, >=99%

11A386X1QH

C08374

WLN: 12H

LP003955

LP086061

NSC 8714

NSC-8714

STL280320

Jsp000956

DTXSID0026913

UNII-11A386X1QH

ZINC1531085

C12-14-alkanes

DSSTox_CID_6913

C12-n-alkane;

CHEBI:28817

DSSTox_GSID_26913

ANW-16463

AN-22698

LS-63438

DA-16704

SC-78851

EBD2203394

TRA0025406

DSSTox_RID_78250

UNII-FW7807707B component SNRUBQQJIBEYMU-UHFFFAOYSA-N

MFCD00008969

LMFA11000004

ACN-034829

RTR-002427

TR-002427

CH3(CH2)10CH3

AKOS015904160

Alkanes, C10-14

J-002767

FT-0625568

Dodecane, ReagentPlus(R), >=99%

BRN 1697175

I14-17881

Tox21_303615

112-40-3

I14-107531

Dodecane, technical, >=90% (GC)

NCGC00257481-01

MCULE-3947157412

NCGC00166012-01

CH3-[CH2]10-CH3

EINECS 203-967-9

EINECS 297-629-8

EINECS 300-199-7

CAS-112-40-3

Ba 51-090453

n-Dodecane, 99% 100ml

93924-07-3

93685-81-5

EC 300-199-7

MolPort-001-783-725

Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality

Hydrocarbons, C4, 1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

1310FACD-F2BF-4FD7-BC20-B21DF06EDE79

4-01-00-00498 (Beilstein Handbook Reference)

InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H

The Henry's Law constant for dodecane is estimated as 8.2 atm-cu m/mole(SRC) derived from its vapor pressure, 0.135 mm Hg(1), and water solubility, 3.7X10-3 mg/L(2). This Henry's Law constant indicates that dodecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 32 days if adsorption is considered(4). Dodecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dodecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Kertes AS; Hydrocarbons with Water and Seawater Part II. Hydrocarbons C8 to C31. Solubility Data Series Vol 38. Shaw PC, ed., London, UK: Pergamon Press, 553 pp (1989) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp 5 Vol (1994) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dodecane can be estimated to be 4800(SRC). According to a classification scheme(2), this estimated Koc value suggests that dodecane is expected to have slight mobility in soil. In a study conducted to mimic a spill of 1.27 L/sq m, dodecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3). In another study, it was determined that dodecane is slowly intercalated into well dried montmorillonite clay(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 25, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton, OH: Monsanto Res Corp. pp. 173 (1982) (4) Eltantawy IM, Arnold PW; Nature (London) Phys Sci 237: 123-25 (1972)

Hexadecane_RamanathanGurudeeban

HEXADECANE

Hexadekan

DCAYPVUWAIABOU-UHFFFAOYSA-N

hexadecan

Cetane

Zetan

Hexadecane, analytical standard

Cetan

cetyl group

n-Hexadecane

n-Cetane

AC1L1WFB

R16

Pentadecane, methyl-

HEXADECAN-2-YL

F8Z00SHP6Q

U573

Hexadecane, >=99%

KSC271E3R

NSC7334

UNII-F8Z00SHP6Q

ACMC-209lgv

S0288

QSPL 078

S0555

QSPL 116

QSPL 025

CTK1H1238

CHEMBL134994

RP27667

UNII-CI87N1IM01 component DCAYPVUWAIABOU-UHFFFAOYSA-N

Hexadecane, anhydrous, >=99%

UNII-J3N6X3YK96 component DCAYPVUWAIABOU-UHFFFAOYSA-N

HSDB 6854

CCRIS 5833

Reference Material for Flash Point Certified by The Japan Petroleum Institute, Hexadecane

LP002446

LP006564

LP092566

NSC-7334

NSC 7334

DTXSID0027195

STL453674

AK175856

DSSTox_CID_7195

CHEBI:45296

A830206

DSSTox_GSID_27195

SC-81482

CC-29261

TRA0076953

ANW-32093

LS-74826

AN-21365

UNII-FW7807707B component DCAYPVUWAIABOU-UHFFFAOYSA-N

ZINC38141452

MFCD00008998

LMFA11000577

DSSTox_RID_78343

C-28205

ST51056605

AI3-06522

DB-052582

RTR-019265

TR-019265

AKOS025212855

S14-1134

Hexadecane, ReagentPlus(R), 99%

FT-0632360

BRN 1736592

Tox21_300485

n-Hexadecane, 95% 1gal

544-76-3

Hexadecane, Vetec(TM) reagent grade, 98%

NCGC00164132-02

Hexadecane, p.a., 99%

NCGC00254306-01

NCGC00164132-01

CH3-[CH2]14-CH3

EINECS 208-878-9

CAS-544-76-3

MolPort-001-779-919

Hexadecane, purum, >=98.0% (GC)

4-01-00-00537 (Beilstein Handbook Reference)

5166841B-BF92-4A7D-8CEF-0B01B374ED0E

InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H

The Henry's Law constant for hexadecane is estimated as 21 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00149 mm Hg(1), and water solubility, 2.1X10-5 mg/L(2). This Henry's Law constant indicates that hexadecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is approximately 24 months if adsorption is considered(4). n-Hexadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexadecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Taylor & Francis, Washington, DC (1999) (2) Coates M et al; Environ Sci Technol 19: 628-32 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of hexadecane can be estimated to be 53,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that hexadecane is expected to be immobile in soil(SRC). From the experimental value of Freundlich adsorption constants and organic carbon contents in three Canadian soils (Wendover 16.2% OC; Vaudreil 10.0% OC; Grimsby 1.0% OC)(3), Koc values can be estimated to be in the range of approximately 50-400(SRC). The experimental data of other investigators suggest that less than 20% of hexadecane from solution is adsorbed in soil, sludge and sediment(4-6). However, in all the adsorption experiments(3-6), the concentration of hexadecane solution used for the adsorption study far exceeded the aqueous solubility of hexadecane making the results questionable(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 17, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (4) Meyers PA, Quinn JG; Nature 244: 23-4 (1973) (5) Kanatharana P, Grob RL; J Environ Sci Health A18: 59-77 (1985) (6) Lee RF; pp. 611-6 in Proc 1977 Oil Spill Conf. New Orleans, LA: American Petroleum Institute (1977)

Tridecane_GurudeebanSatyavani

IIYFAKIEWZDVMP-UHFFFAOYSA-N

tridecan

Tridekan

Tridecane

tridecyl group

N-TRIDECANE

TRD

Tridecane, analytical standard

AC1L1ZHL

AC1Q28TY

Dodecane, methyl-

KSC353S8D

U393

Tridecane, >=99%

TRIDECANE, N-

C13H28

CTK2F3981

A3LZF0L939

S0285

CHEMBL135694

ACMC-209t6w

NSC66205

UNII-A3LZF0L939

HSDB 5727

LTBB002872

C13834

DTXSID6027266

STL301147

UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N

AK115985

LP067635

LP001425

ZINC1693738

CHEBI:35998

DSSTox_CID_7266

ANW-42102

CC-33178

Tridecane, 99.0%

DSSTox_GSID_27266

TRA0008560

TL8004327

SC-74775

NSC-66205

NSC 66205

AN-22061

LMFA11000001

DSSTox_RID_78377

C-28190

MFCD00008979

UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N

RT-000404

ST24031950

LS-157141

DB-054344

AKOS016011009

FT-0082500

FT-0632663

I14-59696

Tox21_303043

629-50-5

NCGC00257175-01

MCULE-7749861366

CAS-629-50-5

CH3-[CH2]11-CH3

EINECS 211-093-4

MolPort-003-933-018

757DB156-6441-49B0-A824-1532074AC0F6

InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H

The Henry's Law constant for n-tridecane is estimated as 1.94 atm-cu m/mole(SRC) derived from its vapor pressure, 0.0375 mm Hg(1), and water solubility, 0.0047 mg/L(2). This Henry's Law constant indicates that n-tridecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5.4 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 18 months if adsorption is considered(4). n-Tridecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Tridecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 95th ed., Boca Raton, FL: CRC Press LLC, p. 15-21 (2014) (2) Coates M et al; Environ Sci Technol 19: 628-32 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-tridecane can be estimated to be 8800(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-tridecane is expected to be immobile in soil. In a study conducted to mimic a spill of 1.27 L/sq-m, n-tridecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton,OH: Monsanto Research Corp. pp. 173 (1982)

Tetradecane_GurudeebanSatyavani

Tetradekan

Tetradecane

Tetradecane olefine

myristyl

BGHCVCJVXZWKCC-UHFFFAOYSA-N

N-TETRADECANE

Tetradecane, analytical standard

n-Teradecane

AC1L1ZHO

Tridecane, methyl-

Tetradecane, >=99%

Tetradecane, 99%

KSC352S3D

U012

ACMC-1B07Q

C14H30

S0286

CCRIS 715

CTK2F2931

CHEMBL135488

NSC72440

Tetradecane, certified reference material, TraceCERT(R)

LTBB002873

HSDB 5728

n-TETRADECANE, 99%

DTXSID1027267

STL280540

LP005503

LP100448

AK113059

UNII-114P5I43UJ component BGHCVCJVXZWKCC-UHFFFAOYSA-N

ZINC1698519

CHEBI:41253

DSSTox_CID_7267

DSSTox_GSID_27267

CC-33172

NSC 72440

NSC-72440

AN-22062

TL8004330

ANW-34473

TRA0013192

SC-74492

03LY784Y58

DSSTox_RID_78378

LMFA11000586

MFCD00008986

C-28195

UNII-FW7807707B component BGHCVCJVXZWKCC-UHFFFAOYSA-N

ST24031875

RTR-021669

DB-054348

AI3-04240

LS-148888

TR-021669

KB-260941

UNII-03LY784Y58

Alkanes, C14-16

Alkanes, C14-30

AKOS004910010

Paraffinic hydrocarbons (C14-C30)

BRN 1733859

FT-0632717

FT-0632666

I14-99197

Tox21_303277

I14-101364

629-59-4

n-Tetradecane, 99% 25g

NCGC00257151-01

MCULE-7442374993

CAS-629-59-4

EINECS 292-448-0

EINECS 211-096-0

CH3-[CH2]12-CH3

90622-46-1

74664-93-0

MolPort-003-665-072

Tetradecane, olefine free, >=99.0% (GC)

4-01-00-00520 (Beilstein Handbook Reference)

C72FCDE9-545A-4C7D-9907-1DFACCF43A82

The Henry's Law constant for n-tetradecane is estimated as 11.9 atm-cu m/mole(SRC) derived from its vapor pressure, 0.015 mm Hg(1), and water solubility, 0.00033 mg/L(2). This Henry's Law constant indicates that n-tetradecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5.6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 28 months if adsorption is considered(4). n-Tetradecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Tetradecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 95th ed. Boca Raton, FL: CRC Press LLC, p. 15-21 (2014) (2) Coates M et al; Environ Sci Technol 19: 628-32 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

In water, 3.3X10-4 mg/L at 25 deg C
Literature: Coates M et al; Environ Sci Technol 19: 628-32 (1985)
Literature: #Very soluble in ether; soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-498
Literature: #Soluble in alcohol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1218

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-tetradecane can be estimated to be 16,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-tetradecane is expected to be immobile in soil. Laboratory soil column elution experiments showed that the percent of n-tetradecane adsorbed to three different native soil types ranged from 2.2-5.98%(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Kanatharana P, Grob RL; J Environ Sci Health A18: 59-77 (1983)

Pentadecane_Ramanathan &Gurudeeban

Pentadekan

Pentadecane

pentadecan

YCOZIPAWZNQLMR-UHFFFAOYSA-N

pentadecyl group

Medicinal Plant

N-PENTADECANE

Pentadecane, analytical standard

MYS

AC1L1ZHU

ACMC-1AVXR

AC1Q2W1H

Pentadecane, >=99%

Pentadecane, n-

C15H32

V0208

S0287

CTK2F3650

P0606

UNII-J3N6X3YK96 component YCOZIPAWZNQLMR-UHFFFAOYSA-N

UNII-CI87N1IM01 component YCOZIPAWZNQLMR-UHFFFAOYSA-N

16H6K2S8M2

HSDB 5729

LTBB002322

C08388

LP082233

LP001445

DTXSID6027268

NSC172781

STL280516

CHEMBL1234557

UNII-114P5I43UJ component YCOZIPAWZNQLMR-UHFFFAOYSA-N

DSSTox_CID_7268

CHEBI:28897

UNII-16H6K2S8M2

ZINC1531089

SC-73247

TL8004333

TRA0009260

DSSTox_GSID_27268

ANW-34476

AN-22063

MFCD00008990

UNII-FW7807707B component YCOZIPAWZNQLMR-UHFFFAOYSA-N

DSSTox_RID_78379

ghl.PD_Mitscher_leg0.43

LMFA11000006

NSC 172781

CH3(CH2)13CH3

TR-021671

RTR-021671

LS-101397

NSC-172781

AKOS015902386

BRN 1698194

FT-0637675

I14-19380

Tox21_300535

629-62-9

I14-100418

NCGC00164185-01

NCGC00164185-02

NCGC00254392-01

Pentadecane, >=98.0% (GC)

MCULE-1292711626

EINECS 211-098-1

CH3-[CH2]13-CH3

CAS-629-62-9

MolPort-003-933-014

4-01-00-00529 (Beilstein Handbook Reference)

896D4B7E-BF33-4D54-82CE-7360D88E8DC8

The Henry's Law constant for n-pentadecane is estimated as 34.4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00492 mm Hg(1), and water solubility, 4X10-5 mg/L(2). This Henry's Law constant indicates that n-pentadecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5.8 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 30 months if adsorption is considered(4). n-Pentadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Pentadecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Washington, DC: Taylor & Francis, (1994) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 1081 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

In water, 4.0X10-5 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 806
Literature: #Very soluble in ethyl ether, ethanol
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-436

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-pentadecane can be estimated to be 29,200(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-pentadecane is expected to be immobile in soil. In a study conducted to mimic a spill of 1.27 L/sq-m, n-pentadecane (present in JP-4 jet fuel) was transported to a depth of 50 cm; at the end of the study (134 days), it was still detected(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton,OH: Monsanto Research Corp. pp. 173 (1982)