Results for:
PubChem ID: 11635

Octadecane

Mass-Spectra

Compound Details

Synonymous names
OCTADECANE
Octadecan
Oktadekan
RZJRJXONCZWCBN-UHFFFAOYSA-N
Octadecane, analytical standard
stearyl group
n-Octadecane
ACMC-1ASVK
AC1L1XS9
N102P6HAIU
KSC273C7B
UNII-N102P6HAIU
NSC4201
Octadecane, 99%
Octadecane, n-
6494AF
C18H38
S0290
CTK1H3170
O0003
CCRIS 681
UNII-CI87N1IM01 component RZJRJXONCZWCBN-UHFFFAOYSA-N
UNII-J3N6X3YK96 component RZJRJXONCZWCBN-UHFFFAOYSA-N
HSDB 8348
n-OCTADECANE, 97%
LP085908
NSC 4201
NSC-4201
LP007710
SBB061159
DTXSID9047172
CHEBI:32926
SC-81162
AN-21552
ANW-42117
TRA0008902
KB-79522
ZINC59592152
MFCD00009007
LMFA11000581
RTR-020597
AI3-06523
ST51047213
TR-020597
UNII-33822S0M40 component RZJRJXONCZWCBN-UHFFFAOYSA-N
AKOS015903064
I14-19275
593-45-3
MCULE-2392852814
n-Octadecane, technical, 90% 1kg
EINECS 209-790-3
CH3-[CH2]16-CH3
EC 209-790-3
MolPort-002-485-390
Octadecane, purum, >=97.0% (GC)
379E5588-B955-4C35-88E0-21E7DF38DE0E
InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H
Microorganism:

Yes

IUPAC nameoctadecane
SMILESCCCCCCCCCCCCCCCCCC
InchiInChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
FormulaC18H38
PubChem ID11635
Molweight254.502
LogP8.47
Atoms56
Bonds55
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkane alkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for octadecane is estimated as 1.9X10-2 atm-cu m/mole(1) from its vapor pressure, 3.41X10-4 mm Hg(2), and water solubility, 6.0X10-3 mg/L(3). This Henry's Law constant indicates that octadecane is expected to volatilize rapidly from water surfaces(4). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(1) is estimated as 1.7 hours hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(1) is estimated as 6.3 days(SRC). However, adsorption to suspended solids and sediment is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(5). Octadecane has a vapor pressure of 3.41X10-4 mm Hg and exists as a liquid under environmental conditions; therefore, octadecane may volatilize from dry soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 9, 2016: http://www2.epa.gov/tsca-screening-tools (2) Jensen TS; PhD Thesis: Petroleum hydrocarbons: compositional changes during biodegradation and transport in unsaturated soil. Roskilde, Denmark: Ministry of the Environment and Energy, National Environmental Research (1994) (3) Yalkowsky SH, et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 1184 (2010) (4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (5) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
The Koc of octadecane is 2.2X10+7(1). According to a classification scheme(2), this Koc value suggests that octadecane is expected to be immobile in soil.
Literature: (1) Jensen TS; PhD Thesis: Petroleum hydrocarbons: compositional changes during biodegradation and transport in unsaturated soil. Roskilde, Denmark: Ministry of the Environment and Energy, National Environmental Research (1994) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
3.41X10-4 mm Hg at 25 deg CPerry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw Hill (1984)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus E44promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaPseudomonas Brassicacearum USB2104narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus E44TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo