Dimethylformaldehyde

dimethylcetone

dimethylketone

Dimethyl formaldehyde

Dimethylketal

Dimethylketon

methylketone

isopropanal

CSCPPACGZOOCGX-UHFFFAOYSA-N

Propanon

propanone

Sasetone

Aceton

acetone

Acetone, Spectrophotometric Grade

Azeton

beta-Ketopropane

Chevron acetone

Citronellidene Acetone; Baccartol

Dimethyl ketone

Pyroacetic acid

Pyroacetic ether

2propanone

b-Ketopropane

Dimethylketone, Pyroacetic acid

Ketone propane

Methyl ketone

methyl-ketone

Acetone HP

Acetone HPLC grade

Acetone, analytical standard

Acetone, Environmental Grade

Acetone, Semiconductor Grade

d-acetone

Acetone Reagent Grade ACS

Ketone, dimethyl

2-propanal

2-propanone

Acetone, technical grade

ACETONE, ACS

ACETONE, HPLC

AC1L18NO

Acetone, ACS reagent

Acetone, HPLC Grade

Acetone, suitable for determination of dioxins

.beta.-Ketopropane

Acetone (natural)

Acetone, for HPLC

ACMC-1AI6Y

Ketone, dimethyl-

Pyroacetic spirit (archaic)

Acetone, pharmaceutical secondary standard; traceable to USP

Acetone, puriss.

HSDB 41

KSC353M9B

propan-2-one

UNII-N4G9GAT76C component CSCPPACGZOOCGX-UHFFFAOYSA-N

CHEMBL14253

UN1090

A0054

Acetone (NF)

Acetone (TN)

Acetone [NF]

Acetone p.A.

c0556

CTK2F3690

HMDB01659

RL04583

(CH3)2CO

1364PS73AF

C00207

CCRIS 5953

D02311

RCRA waste number U002

WLN: 1V1

ZINC895111

Aceton (GERMAN, POLISH)

Acetone, >=99%, meets FCC analytical specifications

Acetone, GC, for residue analysis

Acetone, United States Pharmacopeia (USP) Reference Standard

DTXSID8021482

LS-1566

NSC135802

OR034251

OR325696

UN 1090

Acetone oil (Salt/Mix)

Acetone, natural, >=97%

CHEBI:15347

DSSTox_CID_1482

UNII-1364PS73AF

AN-41894

DSSTox_GSID_21482

KB-47075

Acetone, 99.5%

Acetone, LR, >=99%

Caswell No. 004

DSSTox_RID_76176

LMFA12000057

MFCD00008765

ZINC00895111

AI3-01238

NSC 135802

NSC-135802

RTR-022713

TR-022713

Acetone, ACS spectrophotometric grade, >=99.5%

AKOS000120890

EPA Pesticide Chemical Code 004101

RCRA waste no. U002

Aceton [German, Dutch, Polish]

Acetone, for chromatography, >=99.8%

Acetone, histological grade, >=99.5%

Acetone, Laboratory Reagent, >=99.5%

FEMA No. 3326

FT-0621799

FT-0671108

67-64-1

Acetone, 99% 1L

I14-51516

Tox21_111096

Tox21_202480

Acetone, >=99.5%, ACS reagent

Acetone, >=99.5%, for residue analysis

Acetone, ACS reagent, >=99.5%

Acetone, AR, >=99.5%

Acetone, for residue analysis, >=99.5%

Acetone, UV HPLC spectroscopic, 99.8%

CAS-67-64-1

2-Propanone, >60% in a non hazardous diluent

4468-52-4

Acetone, for HPLC, >=99.8%

Acetone, for HPLC, >=99.9%

Acetone, JIS special grade, >=99.5%

NCGC00091179-01

NCGC00260029-01

Acetone, puriss., 99.0%

Acetone, SAJ first grade, >=99.0%

EINECS 200-662-2

Acetone [UN1090] [Flammable liquid]

UN 1091 (Salt/Mix)

EC 200-662-2

2941-EP1441224A2

2941-EP2269975A2

2941-EP2269977A2

2941-EP2269986A1

2941-EP2269988A2

2941-EP2269989A1

2941-EP2269990A1

2941-EP2269992A1

2941-EP2269993A1

2941-EP2269994A1

2941-EP2269995A1

2941-EP2269997A2

2941-EP2269999A1

2941-EP2270000A1

2941-EP2270004A1

2941-EP2270006A1

2941-EP2270009A1

2941-EP2270010A1

2941-EP2270011A1

2941-EP2270012A1

2941-EP2270013A1

2941-EP2270014A1

2941-EP2270015A1

2941-EP2270016A1

2941-EP2270113A1

2941-EP2270114A1

2941-EP2272517A1

2941-EP2272537A2

2941-EP2272813A2

2941-EP2272817A1

2941-EP2272822A1

2941-EP2272825A2

2941-EP2272827A1

2941-EP2272830A1

2941-EP2272832A1

2941-EP2272835A1

2941-EP2272837A1

2941-EP2272839A1

2941-EP2272840A1

2941-EP2272843A1

2941-EP2272844A1

2941-EP2272845A2

2941-EP2272848A1

2941-EP2272849A1

2941-EP2272935A1

2941-EP2272972A1

2941-EP2272973A1

2941-EP2274983A1

2941-EP2275102A1

2941-EP2275105A1

2941-EP2275395A2

2941-EP2275401A1

2941-EP2275404A1

2941-EP2275407A1

2941-EP2275410A1

2941-EP2275411A2

2941-EP2275412A1

2941-EP2275413A1

2941-EP2275414A1

2941-EP2275415A2

2941-EP2275416A1

2941-EP2275419A2

2941-EP2275423A1

2941-EP2275424A1

2941-EP2275425A1

2941-EP2275427A1

2941-EP2275469A1

2941-EP2277565A2

2941-EP2277566A2

2941-EP2277567A1

2941-EP2277568A2

2941-EP2277569A2

2941-EP2277570A2

2941-EP2277848A1

2941-EP2277861A1

2941-EP2277862A2

2941-EP2277865A1

2941-EP2277866A1

2941-EP2277867A2

2941-EP2277872A1

2941-EP2277874A1

2941-EP2277875A2

2941-EP2277878A1

2941-EP2277879A1

2941-EP2277880A1

2941-EP2277881A1

2941-EP2277898A2

2941-EP2279750A1

2941-EP2280000A1

2941-EP2280001A1

2941-EP2280003A2

2941-EP2280008A2

2941-EP2280009A1

2941-EP2280010A2

2941-EP2280012A2

2941-EP2281563A1

2941-EP2281810A1

2941-EP2281812A1

2941-EP2281813A1

2941-EP2281815A1

2941-EP2281817A1

2941-EP2281818A1

2941-EP2281820A2

2941-EP2281821A1

2941-EP2281823A2

2941-EP2281899A2

2941-EP2284148A1

2941-EP2284149A1

2941-EP2284157A1

2941-EP2284158A1

2941-EP2284160A1

2941-EP2284165A1

2941-EP2284167A2

2941-EP2284168A2

2941-EP2284169A1

2941-EP2284174A1

2941-EP2286811A1

2941-EP2286915A2

2941-EP2287147A2

2941-EP2287152A2

2941-EP2287153A1

2941-EP2287154A1

2941-EP2287156A1

2941-EP2287157A1

2941-EP2287159A1

2941-EP2287161A1

2941-EP2287162A1

2941-EP2287167A1

2941-EP2287940A1

2941-EP2289868A1

2941-EP2289876A1

2941-EP2289878A1

2941-EP2289879A1

2941-EP2289885A1

2941-EP2289890A1

2941-EP2289893A1

2941-EP2289894A2

2941-EP2289897A1

2941-EP2289965A1

2941-EP2292233A2

2941-EP2292280A1

2941-EP2292576A2

2941-EP2292589A1

2941-EP2292590A2

2941-EP2292592A1

2941-EP2292595A1

2941-EP2292596A2

2941-EP2292597A1

2941-EP2292604A2

2941-EP2292606A1

2941-EP2292607A2

2941-EP2292609A1

2941-EP2292610A1

2941-EP2292612A2

2941-EP2292615A1

2941-EP2292619A1

2941-EP2292621A1

2941-EP2292622A1

2941-EP2295055A2

2941-EP2295401A2

2941-EP2295402A2

2941-EP2295406A1

2941-EP2295407A1

2941-EP2295411A1

2941-EP2295414A1

2941-EP2295415A1

2941-EP2295416A2

2941-EP2295418A1

2941-EP2295423A1

2941-EP2295425A1

2941-EP2295426A1

2941-EP2295427A1

2941-EP2295429A1

2941-EP2295430A2

2941-EP2295431A2

2941-EP2295432A1

2941-EP2295435A1

2941-EP2295437A1

2941-EP2295438A1

2941-EP2295439A1

2941-EP2295441A2

2941-EP2295503A1

2941-EP2298312A1

2941-EP2298729A1

2941-EP2298735A1

2941-EP2298736A1

2941-EP2298738A1

2941-EP2298742A1

2941-EP2298743A1

2941-EP2298744A2

2941-EP2298745A1

2941-EP2298746A1

2941-EP2298747A1

2941-EP2298748A2

2941-EP2298750A1

2941-EP2298753A1

2941-EP2298754A1

2941-EP2298755A1

2941-EP2298758A1

2941-EP2298759A1

2941-EP2298761A1

2941-EP2298763A1

2941-EP2298764A1

2941-EP2298765A1

2941-EP2298767A1

2941-EP2298768A1

2941-EP2298770A1

2941-EP2298772A1

2941-EP2298775A1

2941-EP2298776A1

2941-EP2298777A2

2941-EP2298778A1

2941-EP2298783A1

2941-EP2298828A1

2941-EP2301534A1

2941-EP2301536A1

2941-EP2301538A1

2941-EP2301627A1

2941-EP2301911A1

2941-EP2301918A1

2941-EP2301922A1

2941-EP2301923A1

2941-EP2301924A1

2941-EP2301925A1

2941-EP2301928A1

2941-EP2301930A1

2941-EP2301931A1

2941-EP2301932A1

2941-EP2301937A1

2941-EP2301938A1

2941-EP2301939A1

2941-EP2301940A1

2941-EP2301941A1

2941-EP2301983A1

2941-EP2302003A1

2941-EP2305219A1

2941-EP2305248A1

2941-EP2305250A1

2941-EP2305254A1

2941-EP2305257A1

2941-EP2305627A1

2941-EP2305629A1

2941-EP2305636A1

2941-EP2305640A2

2941-EP2305642A2

2941-EP2305648A1

2941-EP2305649A1

2941-EP2305650A1

2941-EP2305651A1

2941-EP2305655A2

2941-EP2305658A1

2941-EP2305660A1

2941-EP2305663A1

2941-EP2305664A1

2941-EP2305665A1

2941-EP2305667A2

2941-EP2305671A1

2941-EP2305672A1

2941-EP2305675A1

2941-EP2305676A1

2941-EP2305677A1

2941-EP2305680A2

2941-EP2305681A1

2941-EP2305682A1

2941-EP2305684A1

2941-EP2305685A1

2941-EP2305686A1

2941-EP2305688A1

2941-EP2305689A1

2941-EP2305695A2

2941-EP2305696A2

2941-EP2305697A2

2941-EP2305698A2

2941-EP2305769A2

2941-EP2305825A1

2941-EP2308471A1

2941-EP2308492A1

2941-EP2308510A1

2941-EP2308562A2

2941-EP2308812A2

2941-EP2308828A2

2941-EP2308838A1

2941-EP2308839A1

2941-EP2308840A1

2941-EP2308841A2

2941-EP2308842A1

2941-EP2308848A1

2941-EP2308849A1

2941-EP2308850A1

2941-EP2308851A1

2941-EP2308853A1

2941-EP2308854A1

2941-EP2308857A1

2941-EP2308858A1

2941-EP2308861A1

2941-EP2308862A1

2941-EP2308864A1

2941-EP2308867A2

2941-EP2308870A2

2941-EP2308872A1

2941-EP2308874A1

2941-EP2308875A1

2941-EP2308876A1

2941-EP2308879A1

2941-EP2308882A1

2941-EP2308926A1

2941-EP2308960A1

2941-EP2309564A1

2941-EP2309584A1

2941-EP2311451A1

2941-EP2311453A1

2941-EP2311455A1

2941-EP2311801A1

2941-EP2311802A1

2941-EP2311803A1

2941-EP2311805A1

2941-EP2311806A2

2941-EP2311808A1

2941-EP2311809A1

2941-EP2311810A1

2941-EP2311811A1

2941-EP2311812A1

2941-EP2311813A1

2941-EP2311814A1

2941-EP2311815A1

2941-EP2311816A1

2941-EP2311817A1

2941-EP2311820A1

2941-EP2311821A1

2941-EP2311822A1

2941-EP2311823A1

2941-EP2311824A1

2941-EP2311825A1

2941-EP2311826A2

2941-EP2311828A1

2941-EP2311829A1

2941-EP2311830A1

2941-EP2311832A1

2941-EP2311833A1

2941-EP2311837A1

2941-EP2311838A1

2941-EP2311841A1

2941-EP2311842A2

2941-EP2314298A1

2941-EP2314558A1

2941-EP2314571A2

2941-EP2314576A1

2941-EP2314577A1

2941-EP2314581A1

2941-EP2314583A1

2941-EP2314584A1

2941-EP2314585A1

2941-EP2314587A1

2941-EP2314590A1

2941-EP2314591A1

2941-EP2314593A1

2941-EP2315303A1

2941-EP2315502A1

2941-EP2316450A1

2941-EP2316452A1

2941-EP2316824A1

2941-EP2316826A1

2941-EP2316829A1

2941-EP2316831A1

2941-EP2316832A1

2941-EP2316833A1

2941-EP2316836A1

2941-EP2316905A1

2941-EP2316906A2

2941-EP2370388A1

2941-EP2370389A1

2941-EP2371803A1

2941-EP2371805A1

2941-EP2371808A1

2941-EP2371811A2

2941-EP2371814A1

2941-EP2371831A1

2941-EP2372017A1

2941-EP2373607A1

2941-EP2374454A1

2941-EP2374533A1

2941-EP2374538A1

2941-EP2374790A1

2941-EP2374895A1

2941-EP2377842A1

2941-EP2377843A1

2941-EP2377845A1

2941-EP2377847A1

2941-EP2380568A1

2941-EP2380873A1

2941-EP2380874A2

2973-EP2272827A1

2973-EP2272846A1

2973-EP2275422A1

2973-EP2277868A1

2973-EP2277869A1

2973-EP2277870A1

2973-EP2280000A1

2973-EP2284166A1

2973-EP2287164A1

2973-EP2289483A1

2973-EP2289881A1

2973-EP2292608A1

2973-EP2292616A1

2973-EP2295436A1

2973-EP2298076A1

2973-EP2298077A1

2973-EP2298749A1

2973-EP2298769A1

2973-EP2301353A1

2973-EP2305031A1

2973-EP2305033A1

2973-EP2305034A1

2973-EP2305035A1

2973-EP2305665A1

2973-EP2305682A1

2973-EP2308492A1

2973-EP2308866A1

2973-EP2308878A2

2973-EP2314580A1

2973-EP2371805A1

2973-EP2374791A1

6121-EP0930075A1

Acetone, for residue analysis, suitable for 5000 per JIS

MolPort-000-871-974

Acetone [UN1090] [Flammable liquid]

79278-EP2305695A2

79278-EP2305696A2

79278-EP2305697A2

79278-EP2305698A2

81217-EP2298761A1

81217-EP2301544A1

81217-EP2305254A1

81217-EP2305687A1

88746-EP2275105A1

88746-EP2305825A1

Acetone, for luminescence, >=99.5% (GC)

Acetone, purum, >=99.0% (GC)

Acetone, ReagentPlus(R), phenol free, >=99.5%

Acetone, semiconductor grade MOS PURANAL(TM) (Honeywell 17921)

Acetone, semiconductor grade ULSI PURANAL(TM) (Honeywell 17014)

Acetone, semiconductor grade VLSI PURANAL(TM) (Honeywell 17617)

Acetone, for HPLC, >=99.8% (GC)

2-Propanone, >10 - 60% in a non hazardous diluent

Acetone, for UV-spectroscopy, ACS reagent, >=99.7% (GC)

Acetone solution, contains 20.0 % (v/v) acetonitrile, for HPLC

InChI=1/C3H6O/c1-3(2)4/h1-2H

Acetone, HPLC Plus, for HPLC, GC, and residue analysis, >=99.9%

Acetone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)

Acetone, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99% (GC)

Acetone, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)

The Henry's Law constant for acetone was measured as 3.50X10-5 atm-cu m/mole(SRC) at 25 deg C(1). This value indicates that acetone is expected to volatilize 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 approximately 21 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 approximately 8.8 days(SRC). Volatilization rate constants of acetone measured in an experimental stream (234 m long, water velocity 0.67 m/min) were in the range of 8.23X10-4 min-1 to 11.1X10-4 min-1(3); these rate constants correspond to volatilization half-lives of about 10-14 hours(3). Similar experiments in the same stream measured acetone volatilization rate constants in the range of 6.22X10-4 min-1 to 14.5X10-4 min-1(4,5); these rate constants correspond to volatilization half-lives of about 8-18 hours(4,5). Acetone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 231 mm Hg at 25 deg C(6).
Literature: (1) Benkelberg HJ et al; J Atmos Chem 20: 17-34 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Rathbun RE et al; J Hydrol 104: 181-209 (1988) (4) Rathbun RE et al; J Hydrol 123: 225-42 (1991) (5) Rathbun RE et al; Environ Pollut 79: 153-62 (1993) (6) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetone can be estimated to be 2.4(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetone is expected to have very high mobility in soil. In sorption studies, acetone showed no adsorption to montorillonite, kaolinite clay, or stream sediment(3,4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 10, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Rathbun RE et al; Chemosphere 11: 1097-114 (1982) (4) Wolfe TA et al; J Water Pollut Control Fed 58: 68-76 (1986)

tetradecylalcohol

Tetradecanol

HLZKNKRTKFSKGZ-UHFFFAOYSA-N

Tetradecyl alcohol

1-Hydroxytetradecane

Myristic alcohol

Myristyl alcohol

Myristyl cetyl alcohol

n-Tetradecanol

n-Tetradecyl alcohol

1-TETRADECANOL

Lanette K

Loxanol V

tetradecan1-ol

Tetradecanol-1

AC1L1QIG

1-Tetradecyl alcohol

Lanette Wax KS

AC1Q2W5U

AC1Q2W5V

AC1Q7CQ3

C14 alcohol

n-Tetradecanol-1

Tetradecan-1-ol

ACMC-1BY8P

kalcohl 40

Lanette 14

Lorol C14

Adol 18

Alfol 14

Epal 14

KSC177C3R

Myristyl Alcohol, pharmaceutical secondary standard; traceable to USP

UNII-2C8M6XLB5C component HLZKNKRTKFSKGZ-UHFFFAOYSA-N

CHEMBL24022

Dehydag wax 14

NSC8549

SCHEMBL20286

Tetradecanol (7CI)

Alcohol(C14)

Alcohols, C14

B0251

CTK0H7138

HMDB11638

Myristyl alcohol (NF)

Myristyl alcohol [NF]

n-Tetradecan-1-ol

Philcohol 1400

Dytol R-52

Kalcohl 4098

Kalcol 4098

Lorol C 14

UNII-135SF8G7FQ component HLZKNKRTKFSKGZ-UHFFFAOYSA-N

UNII-S4827SZE3L component HLZKNKRTKFSKGZ-UHFFFAOYSA-N

Conol 1495

D05097

Fatty alcohol(C14)

HSDB 5168

V42034O9PU

WLN: Q14

AK114207

BC677883

DTXSID9026926

LP002953

LS-2972

Myristyl alcohol, United States Pharmacopeia (USP) Reference Standard

NSC 8549

NSC-8549

SBB060166

STL453593

UNII-B1K89384RJ component HLZKNKRTKFSKGZ-UHFFFAOYSA-N

1-Tetradecanol, 97%

C10-16 Alcohols

C12-16 Alcohols

C14-15 alcohol

CHEBI:77417

DSSTox_CID_6926

UNII-V42034O9PU

ZINC1644076

AN-43149

ANW-16516

BP-30124

DSSTox_GSID_26926

ST2419991

TRA0009129

DSSTox_RID_78257

Fatty alcohol (C14)

LMFA05000041

MFCD00004757

Nacol 14-95

ACM27196005

AI3-00943

CS-W004294

KB-161504

RTR-002470

ST51046400

TR-002470

AKOS009031495

Alcohols, C10-16

Alcohols, C12-15

Alcohols, C12-16

Alcohols, C14-15

EPA Pesticide Chemical Code 001510

J-002824

(C14-C18)Alkyl alcohol

BRN 1742652

FT-0608311

I14-17890

Tox21_201842

Tox21_300538

112-72-1

(C10-C16) Alkyl alcohol

(C12-C16) Alkyl alcohol

(C14-C18) Alkyl alcohol

(C14-C18)-Alkyl alcohol

8032-14-2

MCULE-8719320111

Mixed fatty alcohols (C10-C16)

NCGC00164345-01

NCGC00164345-02

NCGC00164345-03

NCGC00254322-01

NCGC00259391-01

CAS-112-72-1

EINECS 204-000-3

EINECS 267-009-1

EINECS 267-019-6

EINECS 268-107-7

EINECS 269-790-4

EINECS 272-490-6

EINECS 275-983-4

52439-75-5

60650-34-2

62683-39-0

63393-82-8

67762-41-8

67762-42-9

68002-95-9

68855-56-1

71750-71-5

75782-87-5

1-Tetradecanol, 97% 100g

EC 616-261-4

SDA 15-060-00

1-Tetradecanol, Selectophore(TM), >=99.0%

1-Tetradecanol, Vetec(TM) reagent grade, 97%

126339-59-1

126339-60-4

150138-88-8

179607-28-4

189021-36-1

209343-53-3

MolPort-001-792-071

Ea paragraph sign(1)Thorn cent (1/4)

1-Tetradecanol, purum, >=95.0% (GC)

67905-32-2 (aluminum salt)

(C14-C22) and (C16-C22)Unsaturated alkylalcohol

F7FCB87C-0FA4-412A-BC8C-BE5C952BC1E0

4-01-00-01864 (Beilstein Handbook Reference)

Alcohols, C14-22 and C16-22-unsatd.

The Henry's Law constant for 1-tetradecanol is reported as 1.04X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 1-tetradecanol is expected to volatilize 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 17 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 10 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 20-55 months if adsorption is considered(3). 1-Tetradecanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Tetradecanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.1X10-4 mm Hg(4).
Literature: (1) Yaws CL et al; Waste Manag 17: 541-7 (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) 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)

In water, 1.91X10-1 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. 1037
Literature: #In water, 0.30 mg/L at 25 deg C
Literature: Yaws CL et al; Waste Manag 17: 541-7 (1997)
Literature: #Very soluble in ethanol, ether, acetone, benzene, chloroform
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 ether, slightly soluble in alcohol
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1180

Koc values of 18,197-26,303 were reported for 1-tetradecanol in humic acid(1). According to a classification scheme(2), this Koc range suggests that 1-dodecanol is expected to be immobile in soil. Koc values of 5248-12,882, 19,953-32,256, 23,320-64,060 and 44,136-70,202 were reported for 1-tetradecanol in activated sludge, sediment, suspended solids and suspended solids with activated sludge, respectively(1).
Literature: (1) vanCompernolle R et al; Ecotox Environ Saf 64: 61-74 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

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)

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)

AFKUSTCGONJZHE-UHFFFAOYSA-N

8-Methylheptadecane

AC1L6ILL

8-methyl-heptadecane

AC1Q28TG

CTK0H9873

Heptadecane, 8-methyl-

LP071847

NSC158665

DTXSID70303510

LMFA11000600

NSC-158665

13287-23-5

HEPTACOSANE

BJQWYEJQWHSSCJ-UHFFFAOYSA-N

Heptacosane, analytical standard

n-Heptacosane

AC1L1XSC

Hexacosane, methyl-

ACMC-1AOG8

VP371W2GJS

M548

UNII-VP371W2GJS

C27H56

QSPL 073

QSPL 047

CTK0F9891

HSDB 8357

AK126517

LP012376

DTXSID6058637

ZINC6920430

CHEBI:32941

ANW-33237

LMFA11000574

MFCD00009862

AI3-36283

RTR-020598

TR-020598

AKOS016013111

FT-0626891

I14-59877

593-49-7

Heptacosane, >=98.0% (GC)

EINECS 209-792-4

CH3-[CH2]25-CH3

118381-38-7

4557DE11-D8CE-461B-BBA4-5A5BBDA1A670

The Henry's Law constant for heptacosane is estimated as 655 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that heptacosane is expected to volatilize 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 5.7 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 7.7 days(SRC). Heptacosane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The volatilization half-life from a model pond is greater than 2 years when adsorption is considered. Heptacosane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 2.81X10-7 mm Hg at 25 deg C(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 8, 2016: http://www2.epa.gov/tsca-screening-tools (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. 6th ed., New York, NY: McGraw-Hill (1984)

In water, 2.8X10-9 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 10, 2016: http://www2.epa.gov/tsca-screening-tools
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. 3-288
Literature: #Insoluble in ethanol; slightly soluble in 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

Using a structure estimation method based on molecular connectivity indices(1), the Koc of heptacosane can be estimated to be 3.9X10+7(SRC). According to a classification scheme(2), this estimated Koc value suggests that heptacosane 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 8, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

HEXACOSANE

HMSWAIKSFDFLKN-UHFFFAOYSA-N

Hexacosane, analytical standard

n-Hexacosane

Pentacosane, methyl-

AC1L1ZJ6

ACMC-1B86Y

Hexacosane, 99%

CTK1J1456

HSDB 8356

NSC122457

LP001857

DTXSID7060883

ZINC6920419

CHEBI:32940

TL8004355

TRA0009058

CC-32781

AN-22073

ANW-34505

C-24726

LMFA11000576

MFCD00009354

RTR-021693

NSC-122457

NSC 122457

TR-021693

DB-054366

AKOS015902503

FT-0626959

I14-19388

630-01-3

CH3-[CH2]24-CH3

EINECS 211-124-1

69088-85-3

CC0EF1C1-42C8-4428-AB5A-41E9C6A177E7

The Henry's Law constant for hexacosane is estimated as 490 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that hexacosane is expected to volatilize 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 5.5 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)(2) is estimated as 7.6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is greater than 2 years when adsorption is considered(3). Hexacosane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexacosane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 4.69X10-7 mm Hg at 25 deg C(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 10, 2016: http://www2.epa.gov/tsca-screening-tools (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) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. 6th ed., New York, NY: McGraw-Hill (1984)

In water, 6.2X10-09 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 10, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Very soluble in benzene, ligroin, chloroform
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-292

Using a structure estimation method based on molecular connectivity indices(1), the Koc of hexacosane can be estimated to be 2.1X10+7 (SRC). According to a classification scheme(2), this estimated Koc value suggests that hexacosane 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 10, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

iodooctadecane

octadecyliodide

ZNJOCVLVYVOUGB-UHFFFAOYSA-N

Octadecyl iodide

Stearyl iodide

1-IODOOCTADECANE

n-Octadecyl iodide

AC1L1ZIR

AC1Q2W4O

U365

C18H37I

ACMC-1B9M1

NSC5544

CTK2F7100

I0065

SCHEMBL226201

SBB007776

Octadecane, 1-iodo-

NSC-5544

NSC 5544

1-Iodooctadecane, 95%

LP012335

FR-0316

DTXSID7060881

ZINC6920368

TL8004349

AN-46938

ANW-34495

API0003657

MFCD00001090

KB-159909

TR-021685

AKOS015839785

W-104944

FT-0607967

I14-47359

629-93-6

MCULE-7219587354

EINECS 211-117-3

GIUUCQVKMWBSRT-UHFFFAOYSA-N

2-Bromododecane

ACMC-1BRDO

2-Bromo dodecane

AC1L402G

AC1Q24B3

CTK0I4247

NSC97571

SCHEMBL1001129

LP007500

Dodecane, 2-bromo-

NSC-97571

TC-170838

J-006076

AKOS009156715

2-Bromododecane, technical grade, 85%

I14-48622

EINECS 236-142-7

13187-99-0

WZGQIDWFBFDMLE-UHFFFAOYSA-N

2-BROMOTETRADECANE

CTK2H6254

Tetradecane, 2-bromo-

LP001788

SCHEMBL1003662

DTXSID80510172

C-50019

MFCD00045033

DB-055832

AKOS009157417

FT-0611614

I14-112372

74036-95-6

RHGHBLSDPQFOTE-UHFFFAOYSA-N

AC1LC106

CTK3G1771

LP037591

DTXSID40338016

2-ethyl-2-methyltridecan-1-ol

Tridecanol, 2-ethyl-2-methyl-

2-Ethyl-2-methyl-1-tridecanol #

1-Tridecanol, 2-ethyl-2-methyl-

921600-09-1

Isooctadecane

RJWUMFHQJJBBOD-UHFFFAOYSA-N

2-METHYLHEPTADECANE

ACMC-1BOXY

Hexadecane, dimethyl-

AC1L25IW

CTK0I0490

Heptadecane, 2-methyl-

NSC125393

LP003636

DTXSID3073266

ZINC86051428

LMFA11000344

C-52437

AI3-35565

NSC 125393

NSC-125393

AKOS028110551

1560-89-0

EINECS 276-354-7

96125-72-3

72123-30-9

Heptadecane, 2-methyl- (8CI)(9CI)

NQWFSCYWTXQNGG-UHFFFAOYSA-N

AC1LAS9N

3,6-Dimethyldecane

CTK0H2121

DTXSID2058625

LP028011

Decane, 3,6-dimethyl-

17312-53-7

ITVMHPMCNRGCIY-UHFFFAOYSA-N

4-Methyltetradecane

AC1LATUW

4-Methyltetradecane #

CTK4F5017

Tetradecane, 4-methyl-

LP002222

DTXSID60334272

C-50521

DB-046629

FT-0638493

25117-24-2

IEVWHTVOIZEXCC-UHFFFAOYSA-N

4,7-Dimethylundecane

AC1LAS95

4,7-Dimethylundecane #

CTK0H2119

LP077406

DTXSID50333996

LMFA11000693

Undecane, 4,7-dimethyl-

17301-32-5

CQCKNPUKBOITAX-UHFFFAOYSA-N

AC1LBKDF

AC1Q28KQ

5-Ethyl-2-methyloctane

CTK5B4165

5-Ethyl-2-methyloctane #

LP097995

LMFA11000624

Octane, 5-ethyl-2-methyl-

62016-18-6

octyldodecane

EICOSANE

CBFCDTFDPHXCNY-UHFFFAOYSA-N

Icosane

LFA

Eicosane, analytical standard

n-icosane

n-Eicosane

Icosane #

AC1L1QJG

Nonadecane, methyl-

3AYA9KEC48

KSC175M6D

UNII-3AYA9KEC48

6586AF

C20H42

CCRIS 663

CTK0H5661

DIDECYL, 97%

E0003

QSPL 044

Eicosane, 99%

S0292

QSPL 140

QSPL 050

UNII-J3N6X3YK96 component CBFCDTFDPHXCNY-UHFFFAOYSA-N

LS-561

NSC62789

HSDB 8350

SBB060078

DTXSID1025227

LP008745

CHEBI:43619

NSC-62789

NSC 62789

TRA0011927

CC-32674

AN-22725

ANW-42121

LMFA11000571

ZINC15638542

MFCD00009344

C-24777

AI3-28404

DB-041142

ST51046322

NCIOpen2_003284

RTX-011203

AKOS015843175

UNII-33822S0M40 component CBFCDTFDPHXCNY-UHFFFAOYSA-N

J-002883

FT-0631649

I14-17893

112-95-8

MCULE-4659194332

EINECS 204-018-1

n-Eicosane, 99% 25g

CH3-[CH2]18-CH3

EC 204-018-1

860208-83-9

MolPort-003-928-001

C4A12DC5-1A2F-4399-88BF-8A6222A7DF7E

InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H

The Henry's Law constant for eicosane is estimated as 90 atm-cu m/mole(SRC), using a fragment constant estimation method(1). This Henry's Law constant indicates that eicosane may volatilize 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 1.7 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 6.7 days(SRC). However, adsorption to soil 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). Eicosane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 4.62X10-6 mm Hg at 25 deg C(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 17, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987) (5) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Vaporization of Hydrocarbons and related compounds. API44-TRC101. College Station,TX: Thermodynamcs Research Center (1971)

The Koc of eicosane is estimated as 5.9X10+5(SRC), using an estimated log Kow of 10.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that eicosane 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 15, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Henicosane

HENEICOSANE

henicosan

FNAZRRHPUDJQCJ-UHFFFAOYSA-N

n-Heneicosane

Heneicosane, analytical standard

Henicosane #

AC1L1ZIU

Eicosane, methyl-

I93S5U5DMP

ACMC-1B9XJ

Heneicosane, 98%

C21H44

UNII-I93S5U5DMP

CTK2F5971

X6939

S0293

UNII-J3N6X3YK96 component FNAZRRHPUDJQCJ-UHFFFAOYSA-N

HSDB 8351

LP001810

DTXSID9047097

SBB061284

CHEBI:32931

TL8004350

AN-22070

ANW-34496

TRA0005571

CC-32772

ZINC62233929

MFCD00009346

LMFA11000572

C-24776

RTR-021687

AI3-36479

ST51047315

TR-021687

DB-054362

AKOS015902468

UNII-33822S0M40 component FNAZRRHPUDJQCJ-UHFFFAOYSA-N

FT-0632670

I14-19386

629-94-7

MCULE-3230962872

EINECS 211-118-9

CH3-[CH2]19-CH3

FD8EC3D3-E6A2-47B6-9E26-13A115192857

The Henry's Law constant for heneicosane is estimated as 120 atm-cu m/mole(SRC), based upon its vapor pressure, 8.73X10-8 mm Hg(1), and water solubility, 2.9X10-8 mg/L(2). This Henry's Law constant indicates that heneicosane may 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)(3) is estimated as 1.8 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 6.8 days(SRC). However, adsorption to soil 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). Heneicosane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure.
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw Hill (1984) (2) Coates M et al; Env Sci Tech 19: 628-32 (1985) (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, 2.9X10-8 mg/L at 25 deg C (extrapolated)
Literature: Coates M et al; Environ Sci Technol 19: 628-32 (1985)
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. 3-288
Literature: #Slightly soluble in ethanol; soluble in petroleum 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 heneicosane is estimated as 1.1X10+6(SRC), using an estimated log Kow of 10.65(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that heneicosane 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 15, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

OCTACOSANE

ZYURHZPYMFLWSH-UHFFFAOYSA-N

Octacosane, analytical standard

n-Octcosane

n-Octacosane

AC1L1ZJ9

Heptacosane, methyl-

6770AF

Octacosane, n-

Octacosane, 99%

NSC5549

C28H58

CCRIS 680

CTK1J1283

O0002

ACMC-1B929

VFF49836P8

HSDB 8358

STL453125

NSC-5549

NSC 5549

LP076708

DTXSID6058639

CHEBI:32943

UNII-VFF49836P8

ZINC6920420

TL8004356

AN-22074

TRA0000543

ANW-34506

LMFA11000580

C-24725

MFCD00009355

TR-021694

DB-054367

AI3-52615

RTR-021694

ST51037384

AKOS015902504

FT-0632672

I14-19389

630-02-4

n-Octacosane, 99% 10g

MCULE-9551476105

EINECS 211-125-7

CH3-[CH2]26-CH3

69256-48-0

MolPort-002-485-404

E66BE919-93E8-4101-AB46-9612FE796394

The Henry's Law constant for octacosane is estimated as 870 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that octacosane is expected to volatilize 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 5.8 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 7.9 days(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 greater than 2 years when adsorption is considered(3). Octacosane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Octacosane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 1.60X10-9 mm Hg at 25 deg C(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 22, 2016: http://www2.epa.gov/tsca-screening-tools (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)

In water, 5.6X10-10 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 10, 2016: http://www2.epa.gov/tsca-screening-tools
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. 3-424
Literature: #Miscible with acetone, soluble in benzene, chloroform
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-424

Using a structure estimation method based on molecular connectivity indices(1), the Koc of octacosane can be estimated to be 7.1X10+7(SRC). According to a classification scheme(2), this estimated Koc value suggests that octacosane 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 22, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

PENTACOSANE

YKNWIILGEFFOPE-UHFFFAOYSA-N

n-Pentacosane

Pentacosane, analytical standard

AC1L1ZJ3

Tetracosane, methyl-

BON9H94Y8V

Pentacosane, 99%

UNII-BON9H94Y8V

P0139

CTK0J1999

S0297

HSDB 8355

LP002884

NSC158663

DTXSID2060882

CHEBI:32938

ZINC6920418

CC-33089

TL8004354

ANW-42125

TRA0049053

MFCD00009353

LMFA11000582

C-24770

AI3-36478

NSC 158663

NSC-158663

TR-021692

RTR-021692

DB-054365

ST45022218

AKOS015843190

FT-0632671

I14-19387

n-Pentacosane, 99% 1g

629-99-2

CH3-[CH2]23-CH3

EINECS 211-123-6

28503-88-0

MolPort-003-929-240

2A4605C9-A088-458C-AD58-AA987FF6C408

The Henry's Law constant for pentacosane is estimated as 370 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that pentacosane 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 1.9 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 7.4 days(SRC). However, adsorption to sediment and suspended solids 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). Pentacosane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.51X10-6 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 17, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987) (5) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data 6th ed., New York, NY: McGraw Hill (1984)

In water, 2.046X10-8 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: #Soluble in benzene, chloroform
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-436

The Koc of pentacosane is estimated as 1.2X10+7(SRC), using an estimated log Kow of 12.62(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pentacosane 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 17, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)