Results for:
PubChem ID: 7892

2-methylpentane

Mass-Spectra

Compound Details

Synonymous names
2-METHYLPENTANE
Isohexane
107-83-5
Pentane, 2-methyl-
73513-42-5
Hexanes
2-Methyl pentane
1,1-Dimethylbutane
2-Methyl-pentane
64742-49-0
Methyl pentane
SOLVENT DEGREASER
49IB0U6MLD
43133-95-5
DTXSID4029143
CHEBI:88374
NSC-66496
Dimethylpropylmethane
iso-hexane
2-Methylpentane, analytical standard
MFCD02179311
Pentane, methyl-
HSDB 1125
EINECS 203-523-4
NSC 66496
UNII-49IB0U6MLD
i-hexane
AI3-28851
MFCD00009406
2-Methylpentane, 5.0%
KYOWASOL C 600M
KYOWAZOL C 600
2-Methylpentane, >=99%
Hexanes, Environmental Grade
Hexanes, (60% n-hexane)
CHEMBL30909
DTXCID509143
2-METHYLPENTANE [HSDB]
DTXSID20175284
(CH3)2CH(CH2)2CH3
NSC66496
Tox21_200470
WLN: 3Y1 & 1
2-Methylpentane, >=95.0% (GC)
AKOS015907782
MCULE-9604552974
NCGC00248641-01
NCGC00258024-01
CAS-107-83-5
M0382
NS00005206
A801767
Q209445
Isohexane (mixture of isomeric branched chain Hexanes)
ASTM Method D5191 Vapor Pressure - 46.7 kPa (6.77 psi)
InChI=1/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H
Isohexane, mixture of isomeric branched chain hexanes, < 5% n-hexane
Microorganism:

No

IUPAC name2-methylpentane
SMILESCCCC(C)C
InchiInChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
FormulaC6H14
PubChem ID7892
Molweight86.18
LogP3.2
Atoms6
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons
CHEBI-ID88374
Supernatural-IDSN0003875

mVOC Specific Details

Boiling Point
DegreeReference
60.21 °C peer reviewed
Volatilization
The Henry's Law constant for 2-methylpentane is estimated as 1.7 atm-cu m/mole(SRC) derived from its vapor pressure, 211 mm Hg(1), and water solubility, 14.2 mg/L(2). This Henry's Law constant indicates that 2-methylpentane 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 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 days(SRC). 2-Methylpentane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 2-methylpentane from dry soil surfaces may exist (SRC) based upon a vapor pressure of 211 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub. Corp., 4 Vol. (1989) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Raton, FL: CRC Press p. 320 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-methylpentane can be estimated to be 610(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-methylpentane is expected to have low mobility in soil. A sorption experiment using lignite samples resulted in a log Kd of 2.92 for 2-methylpentane(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 20, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Endo S et al; Environ Sci Technol 42: 5897-5903 (2008)
Vapor Pressure
PressureReference
211 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.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaTrichoderma PseudokoningiiMalt extractGC/MSno