Results for:
PubChem ID: 8003

Compound Details

Synonymous names
OFBQJSOFQDEBGM-UHFFFAOYSA-N
Pentanen
Pentanes
Tetrafume
Tetrakil
Tetraspot
Pentan
PENTANE
Pentani
Skellysolve A
AKS
Amyl hydride
LNK
1-ethylpropane
n-Pentane
Pentane, analytical standard
Pentane, purification grade
n-Pentan
n-Pentane, Spectrophotometric Grade
Pentane, pentene fraction
Pentane Fraction, purum
AC1L1Q1I
Hydrocarbons, C4
Pentane, HPLC Grade
Pentanes (petroleum)
Pentani [Italian]
Hydrocarbons, C5-rich
KSC175E1B
Pentan [Polish]
Pentanen [Dutch]
CHEMBL16102
UN1265
CTK0H5210
HSDB 109
n-Pentane, HPLC Grade
P0048
Pentane, spectrophotometric grade, >=99%
S0277
WLN: 5H
ACMC-209t5d
LS-483
n-C5H12
NSC72415
RL00414
4FEX897A91
LTBB002315
R-601
DTXSID2025846
Jsp000760
LP067001
OR034455
OR245494
OR247715
Pentane, anhydrous, >=99%
Pentane, United States Pharmacopeia (USP) Reference Standard
STL301896
1l3,5l3-pentane
300158X
A802071
CHEBI:37830
DSSTox_CID_5846
Pentane, p.a.
UNII-4FEX897A91
ZINC1698513
AN-22567
ANW-42047
Caswell No. 642AA
CJ-28527
DSSTox_GSID_25846
NSC 72415
NSC-72415
TRA0071935
DSSTox_RID_77944
LMFA11000583
MFCD00009498
Pentane, AR, >=99%
Pentane, LR, >=99%
Pentane, reagent grade, 98%
AI3-28785
Pentane, >=99%, HPLC grade
Pentane, UV HPLC spectroscopic, 99%
RTR-002072
TR-002072
AKOS009158849
EPA Pesticide Chemical Code 098001
S14-1482
ZINC112924548
FT-0654256
Pentane, >=99% (GC)
Butane, methyl- (9CI)
Tox21_111085
Tox21_200248
109-66-0
CH3-[CH2]3-CH3
Hydrocarbons, C4-6, C5-rich
8031-35-4
MCULE-4643148765
NCGC00091116-01
NCGC00091116-02
NCGC00257802-01
Pentane, for HPLC, >=99.0%
Pentane, SAJ special grade, >=99.0%
CAS-109-66-0
EINECS 203-692-4
EINECS 270-654-1
EINECS 270-684-5
EINECS 270-695-5
EINECS 271-960-8
N-(Hex-5-Yn-1-Yl)hexanamide
Pentane, p.a., 99%
Pentane, SAJ first grade, >=96.0%
68476-43-7
68476-55-1
68647-60-9
Pentanes [UN1265] [Flammable liquid]
UN 1265 (Salt/Mix)
n-Pentane, 98% 250ml
102056-77-9
MolPort-001-780-001
Pentane, Laboratory Reagent, >=95.0% (GC)
Pentanes [UN1265] [Flammable liquid]
10047-EP2269986A1
10047-EP2269993A1
10047-EP2270000A1
10047-EP2270006A1
10047-EP2270014A1
10047-EP2270113A1
10047-EP2272509A1
10047-EP2272813A2
10047-EP2272826A1
10047-EP2272839A1
10047-EP2272840A1
10047-EP2272935A1
10047-EP2275395A2
10047-EP2275410A1
10047-EP2275411A2
10047-EP2275414A1
10047-EP2277877A1
10047-EP2280000A1
10047-EP2281813A1
10047-EP2281821A1
10047-EP2281822A1
10047-EP2287147A2
10047-EP2287165A2
10047-EP2287166A2
10047-EP2289509A2
10047-EP2289879A1
10047-EP2289893A1
10047-EP2289965A1
10047-EP2292576A2
10047-EP2292589A1
10047-EP2292592A1
10047-EP2292596A2
10047-EP2292606A1
10047-EP2292615A1
10047-EP2292620A2
10047-EP2295433A2
10047-EP2295437A1
10047-EP2295438A1
10047-EP2295439A1
10047-EP2298734A2
10047-EP2298763A1
10047-EP2298775A1
10047-EP2298828A1
10047-EP2301544A1
10047-EP2301627A1
10047-EP2301918A1
10047-EP2305625A1
10047-EP2305642A2
10047-EP2305649A1
10047-EP2305667A2
10047-EP2305668A1
10047-EP2305672A1
10047-EP2305677A1
10047-EP2305769A2
10047-EP2305808A1
10047-EP2308838A1
10047-EP2308857A1
10047-EP2308861A1
10047-EP2308867A2
10047-EP2308870A2
10047-EP2308876A1
10047-EP2311801A1
10047-EP2311802A1
10047-EP2311803A1
10047-EP2311837A1
10047-EP2314576A1
10047-EP2314577A1
10047-EP2315502A1
10047-EP2316832A1
10047-EP2316833A1
10047-EP2316835A1
10047-EP2316836A1
10047-EP2371795A1
10047-EP2371811A2
10047-EP2371814A1
10047-EP2374780A1
10047-EP2374781A1
10047-EP2380568A1
10047-EP2380871A1
15414-EP2275469A1
15414-EP2280007A1
15414-EP2281559A1
15414-EP2281820A2
15414-EP2284174A1
15414-EP2287940A1
15414-EP2289897A1
15414-EP2289965A1
15414-EP2298754A1
15414-EP2298828A1
15414-EP2301983A1
15414-EP2305683A1
15414-EP2305825A1
15414-EP2308926A1
15414-EP2309564A1
15414-EP2309584A1
15414-EP2311839A1
15414-EP2314576A1
15414-EP2314577A1
15414-EP2314589A1
15414-EP2316837A1
15414-EP2371814A1
15414-EP2380871A1
25661-EP2292616A1
25661-EP2298749A1
25661-EP2314580A1
Pentane, p.a., 99.5%
Pentane, purum, >=95.0% (GC)
125901-EP2272846A1
125901-EP2277868A1
125901-EP2277869A1
125901-EP2277870A1
125901-EP2295422A2
BUTYL, 1-METHYL-(6CI,7CI,8CI,9CI)
PROPYL, 1-ETHYL-(6CI,7CI,8CI,9CI)
Pentane, puriss. p.a., >=99.0% (GC)
Pentane, capillary GC grade, >=98% n-pentane basis, 99.9+% C5 isomers.
EB93985D-C6D5-4EC7-A089-73B41F8B4583
InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H
Pentane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.0% (GC)
Microorganism:

No

IUPAC namepentane
SMILESCCCCC
InchiInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
FormulaC5H12
PubChem ID8003
Molweight72.151
LogP2.69
Atoms17
Bonds16
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS