Results for:
PubChem ID: 8125

Oct-1-ene

Mass-Spectra

Compound Details

Synonymous names
hexylethylene
Octylene
Caprylene
KWKAKUADMBZCLK-UHFFFAOYSA-N
alpha-Octylene
alpha-Octene
AC1Q2VTU
AC1L1QBK
1-Caprylene
ACMC-1BOJN
1-Octylene
Neodene 8
1-OCTENE
OCTENE-1
SHOP C8
E5VK21B9RC
Octene (petroleum)
.alpha.-Octylene
1-0ctene
1-Octene, analytical standard
UNII-BY37UED16B component KWKAKUADMBZCLK-UHFFFAOYSA-N
.alpha.-Octene
1-n-ctene
n-1-Octene
NSC8457
1-n-octene
UNII-E5VK21B9RC
Oct-1-ene
Octene-1, octylene
7954AF
O0251
O0041
S0338
CTK0H5242
LS-536
NE10663
HSDB 1084
NSC 8457
CHEMBL1376677
DTXSID6025804
1-C8H16
NSC-8457
BBL027759
LP083847
STL372709
Jsp000874
SBB059884
ZINC1586749
CHEBI:46708
DSSTox_CID_5804
KB-66395
TRA0031125
ANW-42076
DSSTox_GSID_25804
BB_SC-7258
MFCD00009548
DSSTox_RID_77927
ST51046148
RTR-002290
TR-002290
AI3-28403
1-Octene, 98%
J-002614
AKOS009031490
FT-0630803
FT-0608183
I14-17864
Alkenes, C8-9 alpha-
Tox21_200652
111-66-0
NCGC00258206-01
MCULE-6867393536
NCGC00091537-01
NCGC00091537-02
EINECS 271-245-0
EINECS 271-211-5
CAS-111-66-0
EINECS 203-893-7
68527-00-4
1-Octene (High Purity, 99% minimum)
MolPort-001-756-620
1-Octene, 97% 500ml
97564-EP2305662A1
97564-EP2380568A1
alpha olefins (petroleum), (C8-C9) cut
1-Octene, purum, >=97.0% (GC)
InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H
Microorganism:

Yes

IUPAC nameoct-1-ene
SMILESCCCCCCC=C
InchiInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
FormulaCH3(CH2)5CH=CH2
PubChem ID8125
Molweight112.216
LogP3.72
Atoms24
Bonds23
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 1-octene is estimated as 0.627 atm-cu m/mole(SRC) from its vapor pressure, 17.4 mm Hg(1), and water solubility, 4.1 mg/l(2). This Henry's Law constant indicates that 1-octene 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 3.1 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 4.2 days(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be 37 hrs ignoring adsorption; when considering maximum adsorption, the volatilization half-life increases to 95 hrs(4). 1-Octene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1-octene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 17.4 mm Hg(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressures, Vol 3, C8 to C28 Compound. Houston, TX: Gulf Publ Co. pp. 382-7 (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Data Base of Water Solubility Ver 5, Tuscon, AZ: Univ Arizona, College of Pharmacy (1992) (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)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-octene can be estimated to be 510(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-octene is expected to have a low to moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
17.4 mm Hg @ 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAspergillus Nigern/aMeruva et al., 2004
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiCladosporium Cladosporioides Ellisnaindoor, outdoor, on a wide range of materialsSunesson et al., 1995
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiTrichoderma AtrovirideCrutcher et al., 2013
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAspergillus NigerTobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus OrnatusTobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiCladosporium Cladosporioides EllisDG18GC/MS
FungiPencillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no