Results for:
PubChem ID: 11240

2-methylbut-1-ene

Mass-Spectra

Compound Details

Synonymous names
Isopentenes
MHNNAWXXUZQSNM-UHFFFAOYSA-N
gamma-Isoamylene
2-Methylbutene
1-Isoamylene
AC1L1WXD
ACMC-1ARWQ
2-methyl butene
2-methyl-butene
.gamma.-Isoamylene
2-Methylbutene-1
UN2371
UN2459
2 -methyl butene
CTK1A1560
OR14507
UNII-F238I92ISV component MHNNAWXXUZQSNM-UHFFFAOYSA-N
NSC72414
2-Methylbut-1-ene
HSDB 5695
33C9Y0I55H
2-METHYL-1-BUTENE
1-BUTENE,2-METHYL
OR012139
UN 2459
C2H5C(CH3)=CH2
UNII-33C9Y0I55H
CHEBI:77915
ZINC1698512
Butene, 2-methyl-
CJ-28526
ANW-32490
2-Methyl-1-butene, analytical standard
AN-23702
NSC-72414
NSC 72414
KB-25182
2-Methyl-1-butene, technical
MFCD00009333
TR-019788
AKOS009157996
FT-0612897
1-Butene, 2-methyl-
I14-47142
563-46-2
2-Methyl-1-butene, 98%
EINECS 247-975-0
EINECS 209-250-7
70266-76-1
77996-59-9
26760-64-5
11069-33-3
Isopentenes [UN2371] [Flammable liquid]
MolPort-001-760-702
2-Methyl-1-Butene (99% Min.)
2-Methyl-1-butene [UN2459] [Flammable liquid]
InChI=1/C5H10/c1-4-5(2)3/h2,4H2,1,3H
Microorganism:

Yes

IUPAC name2-methylbut-1-ene
SMILESCCC(=C)C
InchiInChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3
FormulaC5H10
PubChem ID11240
Molweight70.135
LogP2.18
Atoms15
Bonds14
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Boiling Point
DegreeReference
31.2 deg CLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-105
Volatilization
The Henry's Law constant for 2-methyl-1-butene calculated from its vapor pressure, 610 mm Hg(1), and water solubility, 130 mg/l(2), is 0.43 atm-cu m/mole (SRC). This Henry's Law constant indicates that 2-methyl-1-butene should 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 2.4 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 3.3 days(SRC). 2-Methyl-1-butene's Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 2-methyl-1-butene from dry soil surfaces exists based upon its vapor pressure of 610 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Suzuki T; J Computer-aided Molecular Design 5: 149-66 (1991) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
Sol in alcohol, ether, benzene
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-105
Literature: #In water, 130 mg/l @ 20 deg C.
Literature: Suzuki T et al; J Computer-aided Molecular Design 5: 149-66 (1991)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-methyl-1-butene can be estimated to be 68(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-methyl-1-butene is expected to have 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
610 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Flureorescens SBW25Cheng et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Flureorescens SBW25Kings B + rif,+kann; PDA GC-Q-TOF-MSno