Results for:
PubChem ID: 8003

Compound Details

Synonymous names
PENTANE
n-Pentane
109-66-0
Pentan
Skellysolve A
Pentanen
Pentani
Amyl hydride
Pentanes
Tetrafume
Tetrakil
Tetraspot
Normal Pentane
Caswell No. 642AA
npentane
NSC 72415
HSDB 109
EINECS 203-692-4
EPA Pesticide Chemical Code 098001
UNII-4FEX897A91
DTXSID2025846
CHEBI:37830
AI3-28785
4FEX897A91
ACTH, formylmethionyl-
NSC-72415
DTXCID705846
68476-43-7
EC 203-692-4
MFCD00009498
68476-55-1
68647-60-9
70955-08-7
NCGC00091116-01
PENTANE (MART.)
PENTANE [MART.]
R-601
Pentan [Polish]
Pentane, analytical standard
Pentanen [Dutch]
Pentani [Italian]
107949-95-1
normal-Pentane
n-Pentan
CAS-109-66-0
High purity Pentane
95% N-pentane
99% N-pentane
High purity N-pentane
blowing agent N-pentane
foaming agent N-pentane
Pentane, pentene fraction
UN1265
Pentane 109-66-0
syn-pentane
1-ethylpropane
Pentane; E 0121; NSC 72415; Norpar 5S; Skellysolve A; n-Pentane
trimethylenemethane
Pentane, p.a.
EINECS 270-684-5
EINECS 270-695-5
EINECS 271-960-8
n-Pentane, 95%
n-Pentane, 99%
Pentane, HPLC Grade
Pentane Fraction, purum
n-Pentane Blowing Agent
PENTANE [HSDB]
PENTANE [INCI]
n-Pentane, HPLC Grade
PENTANE [MI]
PENTANE [USP-RS]
EC 270-695-5
Pentane, p.a., 99%
Pentane, purification grade
Pentane, AR, >=99%
Pentane, LR, >=99%
WLN: 5H
UN 1265 (Salt/Mix)
CHEMBL16102
Pentane, anhydrous, >=99%
n-C5H12
Pentane, >=99% (GC)
Pentane, p.a., 99.5%
Pentane, reagent grade, 98%
CH3-(CH2)3-CH3
DTXSID30177996
DTXSID40179628
DTXSID60181228
Pentane, >=99%, HPLC grade
n-Pentane, Spectrophotometric Grade
NSC72415
Pentane, for HPLC, >=99.0%
EINECS 270-654-1
Tox21_111085
Tox21_200248
LMFA11000583
STL301896
Pentane 1000 microg/mL in Methanol
Pentane, purum, >=95.0% (GC)
AKOS009158849
MCULE-4643148765
Pentane, UV HPLC spectroscopic, 99%
n-Pentane 1000 microg/mL in Methanol
Pentane, SAJ first grade, >=96.0%
USEPA/OPP Pesticide Code: 098001
NCGC00091116-02
NCGC00257802-01
Pentane, SAJ special grade, >=99.0%
Pentanes [UN1265] [Flammable liquid]
Pentane, spectrophotometric grade, >=99%
9,11,13-Octadecatriyoic acid methyl ester
NS00008602
P0048
P2621
Pentane, puriss. p.a., >=99.0% (GC)
D91890
EC 270-654-1
Pentane, Laboratory Reagent, >=95.0% (GC)
A802071
Q150429
InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H
EB93985D-C6D5-4EC7-A089-73B41F8B4583
Pentane, United States Pharmacopeia (USP) Reference Standard
Pentane, capillary GC grade, >=98% n-pentane basis, 99.9+% C5 isomers.
Pentane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.0% (GC)
AKS
Microorganism:

Yes

IUPAC namepentane
SMILESCCCCC
InchiInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
FormulaC5H12
PubChem ID8003
Molweight72.15
LogP3.4
Atoms5
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons alkanes
CHEBI-ID37830
Supernatural-IDSN0263716

mVOC Specific Details

Boiling Point
DegreeReference
36.06 °C peer reviewed
Volatilization
The Henry's Law constant for n-pentane is 1.25 atm-cu m/mole(1). This Henry's Law constant indicates that n-pentane 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 2.5 hours(3). 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 3.4 days(3). n-Pentane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Pentane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 514 mm Hg(4).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-98 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 4, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-pentane can be estimated to be 72(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-pentane is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 4, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
514 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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaMycobacterium BovisHEYMNTD/GC-MSno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno