Results for:
PubChem ID: 8222

Compound Details

Synonymous names
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
Microorganism:

Yes

IUPAC nameicosane
SMILESCCCCCCCCCCCCCCCCCCCC
InchiInChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
FormulaC20H42
PubChem ID8222
Molweight282.556
LogP9.36
Atoms62
Bonds61
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkanes

mVOC Specific Details

Volatilization
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)
Soil Adsorption
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)
Vapor Pressure
PressureReference
4.62X10-6 mm Hg at 25 deg CZwolinski 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)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Megaterium USB2103narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Megaterium USB2103King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo