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)

HEPTADECANE

Heptadekan

NDJKXXJCMXVBJW-UHFFFAOYSA-N

Normal-heptadecane

Heptadecane, analytical standard

n-Heptadecane

AC1L1ZIF

AC1Q2W2X

Hexadecane, methyl-

H7C0J39XUM

Heptadecane, 99%

M762

C17H36

UNII-H7C0J39XUM

S0289

CTK2F2995

UNII-J3N6X3YK96 component NDJKXXJCMXVBJW-UHFFFAOYSA-N

ARONIS020486

UNII-CI87N1IM01 component NDJKXXJCMXVBJW-UHFFFAOYSA-N

LTBB002875

n-HEPTADECANE, 99%

HSDB 8347

C01816

CHEMBL3185332

LP002411

DTXSID7047061

NSC172782

STL355860

ZINC8217397

CHEBI:16148

TL8004342

CC-32773

DSSTox_GSID_47061

ANW-42115

AN-22067

LS-74180

C-28208

MFCD00009002

LMFA11000003

UNII-FW7807707B component NDJKXXJCMXVBJW-UHFFFAOYSA-N

DSSTox_CID_27061

DSSTox_RID_82078

KB-110287

DB-054356

RTR-021679

AI3-36898

NSC-172782

TR-021679

NSC 172782

AKOS000487450

BRN 1738898

FT-0626894

TRA-0205485

I14-57459

I14-19384

Tox21_302278

629-78-7

n-Heptadecane, 99% 25g

NCGC00256101-01

MCULE-3718944215

EINECS 211-108-4

CAS-629-78-7

CH3-[CH2]15-CH3

MolPort-002-351-156

Heptadecane, purum, >=98.0% (GC)

4-01-00-00548 (Beilstein Handbook Reference)

43B472DE-3A6B-4855-8457-9D679B0D1C87

InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H

The Henry's Law constant for heptadecane is estimated as 3.1X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 2.28X10-4 mm Hg(1), and water solubility, 2.3X10-3 mg/L(2). This Henry's Law constant indicates that heptadecane is expected to volatilize 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)(4) 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)(4) is estimated as 6.2 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 greater than 2 years if adsorption is considered(5). Heptadecane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Heptadecane is not expected to volatilize from dry soil surfaces(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) WakehamSG et al; Canadian J Fish Aquat Sci 40: 304-21 (1983) (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; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (5) US EPA; EXAMS II Computer Simulation (1987)

In water, 2.3X10-3 mg/L at 25 deg C
Literature: Wakeham SG ET al; Canadian J Fish Aqua Sci 40: 304-21 (1983)
Literature: #Insoluble in water
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-388
Literature: #Slightly soluble in ethanol, carbon tetrachloride; soluble in ethyl ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-288

The Koc of heptadecane is 2.5X10+5(1). According to a classification scheme(2), this Koc value suggests that heptadecane is expected to be immobile in soil.
Literature: (1) Wakeham SG et al; Canadian J Fish Aqua Sc 40: 304-21 (1983) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

UNKNOWN PHOSPHOLIPID FRAGMENT

NONADECANE

nonadecan

LQERIDTXQFOHKA-UHFFFAOYSA-N

Nonadekan

Nonadecane, analytical standard

UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID

UPL

n-Nonadecane

AC1L1ZIO

NMY21D3Y5T

Nonadecane, 99%

UNII-NMY21D3Y5T

QSPL 079

S0291

V0207

CTK2F6296

N0282

NSC77136

UNII-J3N6X3YK96 component LQERIDTXQFOHKA-UHFFFAOYSA-N

UNII-CI87N1IM01 component LQERIDTXQFOHKA-UHFFFAOYSA-N

ARONIS020629

bmse000764

HSDB 8349

N-NONADECANE, 99%

LP008228

STK032371

SBB058691

AK126519

DTXSID9047170

ZINC8398603

CHEBI:32927

TL8004347

TRA0009059

ANW-42120

NSC-77136

AN-22069

NSC 77136

LMFA11000578

ZINC08398603

MFCD00009012

RTR-021683

AI3-36122

ST24031484

ST45034357

TR-021683

KB-110288

AKOS000487358

UNII-33822S0M40 component LQERIDTXQFOHKA-UHFFFAOYSA-N

FT-0638791

FT-0673031

I14-19385

I14-55315

629-92-5

n-Nonadecane, 99% 25g

MCULE-7331201096

EINECS 211-116-8

CH3-[CH2]17-CH3

MolPort-002-351-165

AN-329/40543671

5DFF1F48-853A-4CE2-852C-81C871EF1DA6

The Henry's Law constant for nonadecane is estimated as 68 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that nonadecane 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)(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 6.5 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(4). Nonadecane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.9X10-5 mm Hg(5).
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; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987) (5) Yaws Cl; Handbook of Vapor Pressure. Volume 3 - C8 to C28 Compounds. Houston, TX: Gulf Publishing Co. (1994)

In water, 3.7X10-5 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Insoluble in water
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 986
Literature: #Slightly soluble in ethanol; soluble in ethyl ether, acetone, carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-424
Literature: #Soluble in alcohol and ether
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 986

The Koc of nonadecane is estimated as 3.2X10+5(SRC), using an estimated log Kow of 9.67(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that nonadecane is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

RSJKGSCJYJTIGS-UHFFFAOYSA-N

Hendecane

Hendekan

Undecane

undecan

Undekan

undecyl group

Undecane, analytical standard

n-Hendecane

UND

N-UNDECANE

JV0QT00NUE

UNII-JV0QT00NUE

UNDECAN-2-YL

U203

AC1L23G2

Decane, methyl-

KSC176C3J

UN2330

Undecane, >=99%

U0002

QSPL 058

S0283

CTK0H6134

Undecane, 99%

NSC66159

CHEMBL132474

ACMC-209t6p

HSDB 5791

CCRIS 3796

LTBB002321

LP077622

LP067812

LP092643

Jsp000912

n-C11H24

UN 2330

DTXSID9021689

ZINC1693211

CHEBI:46342

DSSTox_CID_1689

NSC 66159

TRA0090240

SC-79237

DSSTox_GSID_21689

CC-33184

NSC-66159

ANW-42095

AN-20593

C-28174

DSSTox_RID_76285

MFCD00008959

LMFA11000591

RTR-002350

AI3-21126

TR-002350

DB-041031

LS-158394

AKOS005145675

J-002689

FT-0633353

BRN 1697099

I14-60624

Tox21_300076

CH3-[CH2]9-CH3

NCGC00254001-01

NCGC00247896-01

MCULE-7319807036

1120-21-4

EINECS 214-300-6

n-Undecane, 99% 50g

Undecane [UN2330] [Flammable liquid]

61193-21-3

CAS-1120-21-4

MolPort-001-783-218

Undecane [UN2330] [Flammable liquid]

4-01-00-00487 (Beilstein Handbook Reference)

17398EC4-D16F-42F6-8A27-60F8EC075469

InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H

The Henry's Law constant for n-undecane is estimated as 6.1 atm-cu m/mole(SRC) derived from its vapor pressure, 0.412 mm Hg(1), and water solubility, 0.014 mg/L(2). This Henry's Law constant indicates that n-undecane 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 3.6 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 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 about 1 month if adsorption is considered(4). n-Undecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Undecane 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 Chemicals Data Compilation. Washington, DC: Taylor and Francis (1999) (2) Shaw DG; Hydrocarbons with Water and Seawater. Part II: Hydrocarbons C8 to C36. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 38 p. 326 (1989) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) USEPA; EXAMS II Computer Simulation (1987)

In water, 0.014 mg/L at 25 deg (critical evaluation of all available data)
Literature: Shaw DG; Hydrocarbons with Water and Seawater. Part II: Hydrocarbons C8 to C36. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 38 p. 326 (1989)
Literature: #In water, 0.0044 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: #Miscible with ethyl alcohol, ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-544

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-undecane can be estimated to be 2,600(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-undecane is expected to have slight mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 16, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983)

DIOQZVSQGTUSAI-UHFFFAOYSA-N

DECANE

decan

Decyl hydride

Dekan

normal-decane

decyl group

Decane, analytical standard

AC1Q2VXY

n-Decane

n-Dekan

ACMC-1BUCN

D10

AC1L268C

HSDB 63

I932

KSC179Q2P

N-DECANE, CERTIFIED GRADE

Nonane, methyl-

C10H22

decan-2-yl

decan-3-yl

decan-5-yl

NSC8781

UN2247

CCRIS 653

CTK0H9827

D0011

Decane, >=95%

NK85062OIY

QSPL 111

S0282

S0554

CHEMBL134537

Decane, 99%

Decane, n-

LS-693

RP20784

LTBB002320

UNII-NK85062OIY

WLN: 10H

Decane, anhydrous, >=99%

DTXSID6024913

Jsp001609

LP003952

LP004138

LP067944

LP068261

LP092567

n-C10H22

NSC 8781

NSC-8781

STL280316

UN 2247

CHEBI:41808

DSSTox_CID_4913

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

ZINC1648227

AN-22946

ANW-42089

DSSTox_GSID_24913

KB-49638

SC-79309

TRA0023373

DSSTox_RID_77577

LMFA11000568

MFCD00008954

AI3-24107

RTR-003754

TR-003754

AKOS005145676

Alkanes, C10-18

J-005051

J-520211

BRN 1696981

FT-0697465

Decane, ReagentPlus(R), >=99%

I14-17989

Tox21_201881

Tox21_300336

(C10-C18) Alkanes

124-18-5

F1908-0171

CH3-[CH2]8-CH3

Decane, SAJ special grade, >=99.0%

MCULE-6071426098

NCGC00247996-01

NCGC00247996-02

NCGC00254283-01

NCGC00259430-01

CAS-124-18-5

EINECS 204-686-4

28598-83-6

63335-87-5

73138-29-1

n-Decane, 99% 100ml

MolPort-001-783-724

n-Decane [UN2247] [Flammable liquid]

Decane, purum, >=95.0% (GC)

Decane, purum, >=98.0% (GC)

n-Decane [UN2247] [Flammable liquid]

4-01-00-00464 (Beilstein Handbook Reference)

DBF497D1-4529-4457-841E-9D33CDF22B1C

InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H

The Henry's Law constant for n-decane is estimated as 5.15 atm-cu m/mole(SRC) derived from its vapor pressure, 1.43 mm Hg(1), and water solubility, 0.052 mg/L(2). This Henry's Law constant indicates that n-decane 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 3.5 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 4.7 days(SRC). n-Decane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Decane is expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC). Biodegradation studies in soil have observed volatilization to be a more important removal process than biodegradation for n-decane(4,5).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub. Corp. (1989) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 745 (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) Stronguilo ML et al; Chemosphere 29: 272-81 (1994) (5) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-9 (1993)
Literature: #First-order evaporation constants of n-decane in 3-mm layer No 2 fuel oil, darkened room, wind speed 21 km/hr: at 5 deg C, 1.19X10-3/min; at 10 deg C, 1.87X10-3/min; at 20 deg C, 3.44X10-3/min; at 30 deg C, 6.98X10-3/min
Literature: Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 655

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-decane can be estimated to be 1500(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-decane is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 9, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)