Results for:
PubChem ID: 7844

But-1-ene

Mass-Spectra

Compound Details

Synonymous names
1-BUTENE
But-1-ene
Ethylethylene
106-98-9
BUTENE
1-Butylene
Butene-1
alpha-Butylene
alpha-Butene
9003-28-5
1-C4H8
CCRIS 8970
HSDB 179
.alpha.-Butene
.alpha.-Butylene
25167-67-3
EINECS 203-449-2
UNII-LY001N554L
CHEBI:48362
LY001N554L
DTXSID1026746
EC 203-449-2
1-Butene (ca. 10% in Hexane)
Butene, 1-
MFCD00009383
1-n-Butene
Actipol E6
61788-35-0
but-1-en-3-yl
BUTENE [INCI]
1-BUTENE [HSDB]
1-BUTENE [MI]
1-Butene, >=99%
CHEMBL117210
DTXCID606746
1-Butene, >=99.6%
But-1-ene (10% in Hexanes)
DTXSID10175879
DTXSID80983963
1-Butene (ca. 10% in Toluene)
1-Butene, >=99.0% (GC)
AKOS009156841
MCULE-8167907130
DB-040719
B0689
B4410
B4411
NS00009034
InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H
Q2468763
6993-22-2
Microorganism:

Yes

IUPAC namebut-1-ene
SMILESCCC=C
InchiInChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
FormulaC4H8
PubChem ID7844
Molweight56.11
LogP2.4
Atoms4
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes
CHEBI-ID48362
Supernatural-IDSN0402777

mVOC Specific Details

Boiling Point
DegreeReference
6.47 °C peer reviewed
Volatilization
The Henry's Law constant for 1- butene is 0.245 atm-cu m/mole(1). This Henry's Law constant indicates that 1- butene is expected to volatilize rapidly 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)(2) is estimated as 45 minutes (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 3 days(SRC). 1-Butene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). 1-Butene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2250 mm Hg(3).
Literature: (1) Yaws CL; Thermodynamics and Physical Property Data, Houston, TX: Gulf Publ Co pp. 217 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp 5 Vol (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-butene can be estimated to be 44(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-butene is expected to have very high 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
2.253X10+3 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.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Fragin/an/ano