Results for:
PubChem ID: 8183

Dodec-1-ene

Mass-Spectra

Compound Details

Synonymous names
1-DODECENE
Dodec-1-ene
112-41-4
DODECENE
Adacene 12
Dodecene-1
n-Dodec-1-ene
Dodecylene
alpha-Dodecene
alpha-Dodecylene
25378-22-7
.alpha.-Dodecene
.alpha.-Dodecylene
NSC 12016
HSDB 1076
UNII-WYE669F3GR
EINECS 203-968-4
WYE669F3GR
Neodene 12
Dodecylene .alpha.-
DTXSID5026914
CHEBI:89713
MFCD00008961
NSC-12016
DODECENE, 1-
DTXCID306914
68526-58-9
EC 203-968-4
1-Dodecene, 95%
n-dodecene
n-dodecene-1
CAS-112-41-4
HSDB 2793
dodec-11-ene
EINECS 246-922-9
DODECENE [INCI]
ADACENE-12
EC 246-922-9
1-DODECENE [HSDB]
1-Dodecene (standard material)
1-Dodecene, analytical standard
CHEMBL1872885
NSC12016
EINECS 271-215-7
Tox21_201382
Tox21_303303
1-Dodecene, >=99.0% (GC)
LMFA11000313
AKOS015904161
CS-W017788
MCULE-4843306057
1-Dodecene, technical, >=90% (GC)
NCGC00164290-01
NCGC00164290-02
NCGC00257096-01
NCGC00258933-01
BS-14425
DB-041090
D0974
NS00007351
S0342
EN300-99514
D70997
A802575
Q161620
J-002769
Microorganism:

Yes

IUPAC namedodec-1-ene
SMILESCCCCCCCCCCC=C
InchiInChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
FormulaC12H24
PubChem ID8183
Molweight168.32
LogP6.8
Atoms12
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical Classificationunsaturated hydrocarbons alkenes
CHEBI-ID89713
Supernatural-IDSN0053782

mVOC Specific Details

Boiling Point
DegreeReference
213.8 °C peer reviewed
Volatilization
The Henry's Law constant for 1-dodecene is estimated as 4.25 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-dodecene is expected to volatilize rapidly from moist soil and 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 1.324 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 120 hours(SRC). However, the volatilization half-life does not take into account the effects of adsorption. An estimated Koc of 5900 (SRC), from a log Kow of 6.10 (SRC) and a regression-derived equation (3), suggests that volatilization could be attenuated by adsorption to suspended solids and sediments in water (SRC). This is apparent from the results of two EXAMS model runs, one in which the effect of adsorption was considered, yielding an estimated half-life of 39 days in a model pond 2 m deep, and one in which the effect of adsorption was ignored, yielding an estimated half-life of 45 hr in a model pond 2 m deep (4). 1-Dodecene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces will occur(SRC). The potential for volatilization of 1-dodecene from dry soil surfaces is not expected(SRC) based upon an estimated vapor pressure of 0.0159 mm Hg 25 deg C(SRC).
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) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (4) USEPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-dodecene can be estimated to be 5900(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-dodecene is expected to be immobile in soil(SRC).
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
0.0159 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
1 MM HG @ 47.2 DEG CSax, N.I. Dangerous Properties of Industrial Materials. 4th ed. New York: Van Nostrand Reinhold, 1975., p. 709
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNATimm et al. 2018
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fluorescensnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Fusarium GraminearumBallot et al. 2023
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaPseudomonas AeruginosaMOPS glucoseSPME, GC-MSyes
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas Fragin/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
Fusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno