Results for:
PubChem ID: 8125

Oct-1-ene

Mass-Spectra

Compound Details

Synonymous names
1-OCTENE
Oct-1-ene
111-66-0
Caprylene
Octene
n-1-Octene
1-Octylene
Octylene
alpha-Octene
OCTENE-1
1-Caprylene
alpha-Octylene
.alpha.-Octene
.alpha.-Octylene
NSC 8457
Neodene 8
MFCD00009548
E5VK21B9RC
DTXSID6025804
CHEBI:46708
NSC-8457
1-C8H16
1-Octene, 98%
68527-00-4
1-Octene, analytical standard
1-n-octene
26746-84-9
Octene, 1-
HSDB 1084
EINECS 203-893-7
UNII-E5VK21B9RC
Alkenes, C8-9 .alpha.-
AI3-28403
1-?Octene
C8-9 alpha-Alkenes
CAPRYLENE [MI]
OCTENE [INCI]
1-Octene, 97%
SHOP C8
1-OCTENE [FHFI]
1-OCTENE [HSDB]
EC 203-893-7
DTXCID705804
CHEMBL1376677
NSC8457
Tox21_200652
BBL027759
STL372709
AKOS009031490
MCULE-6867393536
1-Octene, purum, >=97.0% (GC)
NCGC00091537-01
NCGC00091537-02
NCGC00258206-01
CAS-111-66-0
VS-08589
DB-040996
NS00007609
O0041
O0251
EN300-19738
D91846
Q161664
J-002614
InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H
Microorganism:

No

IUPAC nameoct-1-ene
SMILESCCCCCCC=C
InchiInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
FormulaC8H16
PubChem ID8125
Molweight112.21
LogP4.6
Atoms8
Bonds5
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes
CHEBI-ID46708
Supernatural-IDSN0197254

mVOC Specific Details

Boiling Point
DegreeReference
121.2 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTrichoderma VirideNAHung et al. 2013
EukaryotaAspergillus Nigern/aNAMeruva et al. 2004
EukaryotaRhizopus Stolonifern/aNAMeruva et al. 2004
EukaryotaAspergillus Ornatusn/aNAMeruva et al. 2004
EukaryotaPenicillium Chrysogenumn/aNAMeruva et al. 2004
EukaryotaTrichoderma VirensNACrutcher et al. 2013
EukaryotaTrichoderma AtrovirideNACrutcher et al. 2013
EukaryotaTrichoderma ReeseiNACrutcher et al. 2013
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaCladosporium Cladosporioidesnaindoor, outdoor, on a wide range of materialsSunesson et al. 1995
EukaryotaPenicillium ChrysogenumNoneNoneMeruva et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
EukaryotaAspergillus NigerTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaRhizopus StoloniferTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaAspergillus OrnatusTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaPenicillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaAspergillus VersicolorDG18GC/MSno
EukaryotaCladosporium CladosporioidesDG18GC/MSno
EukaryotaPenicillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.yes