Compound: PENTANE
SMILES: C(CC)CC
InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
Synonyms: PENTANE, n-Pentane, 109-66-0, Pentan, Skellysolve A, Pentanen, Pentani, Amyl hydride, Tetrafume, Tetrakil, Tetraspot, DTXSID2025846, 4FEX897A91, NSC-72415, DTXCID705846, CHEBI:37830, RefChem:6667, 203-692-4, MFCD00009498, NSC 72415, NCGC00091116-01, Pentanes, Pentan [Polish], Pentanen [Dutch], Pentani [Italian], Caswell No. 642AA, n-Pentan, CAS-109-66-0, HSDB 109, ACTH, formylmethionyl-, EINECS 203-692-4, UN1265, Butane, methyl- (9CI), EPA Pesticide Chemical Code 098001, syn-pentane, UNII-4FEX897A91, 1-ethylpropane, AI3-28785, trimethylenemethane, Pentane, p.a., n-Pentane, anhydrous, Pentane [WHO-DD], Pentane, HPLC Grade, Pentane Fraction, purum, PENTANE [HSDB], n-Pentane, HPLC Grade, PENTANE [MI], PENTANE [MART.], PENTANE [USP-RS], SCHEMBL132, EC 203-692-4, Pentane, p.a., 99%, Pentane, purification grade, SCHEMBL1234, SCHEMBL2496, SCHEMBL7505, Pentane, analytical standard, Pentane, AR, >=99%, Pentane, LR, >=99%, SCHEMBL10064, SCHEMBL23179, SCHEMBL42541, WLN: 5H, 102056-77-9, 107949-95-1, UN 1265 (Salt/Mix), CHEMBL16102, Pentane, anhydrous, >=99%, SCHEMBL137734, SCHEMBL148657, SCHEMBL215538, SCHEMBL220709, SCHEMBL381041, SCHEMBL429026, SCHEMBL593198, SCHEMBL593875, SCHEMBL942228, SCHEMBL943758, SCHEMBL974082, SCHEMBL974374, SCHEMBL974584, SCHEMBL975733, SCHEMBL976266, SCHEMBL977204, n-C5H12, Pentane, >=99% (GC), Pentane, p.a., 99.5%, Pentane, reagent grade, 98%, SCHEMBL1004647, SCHEMBL1006258, SCHEMBL1141022, SCHEMBL2884675, SCHEMBL3662873, SCHEMBL4142464, SCHEMBL4148917, SCHEMBL5404475, SCHEMBL6635362, SCHEMBL7690264, SCHEMBL7690542, SCHEMBL7694259, SCHEMBL7695637, SCHEMBL7695667, SCHEMBL7695669, SCHEMBL7695980, SCHEMBL7696607, SCHEMBL7696897, SCHEMBL8775957, Pentane, >=99%, HPLC grade, n-Pentane, Spectrophotometric Grade, NSC72415, Pentane, for HPLC, >=99.0%, Tox21_111085, Tox21_200248, LMFA11000583, MSK000979, STL301896, Pentane 1000 microg/mL in Methanol, Pentane, purum, >=95.0% (GC), AKOS009158849, EBC-627236, MSK000979-100M, Pentane, UV HPLC spectroscopic, 99%, n-Pentane 1000 microg/mL in Methanol, Pentane, SAJ first grade, >=96.0%, MSK000979-1000M, NCGC00091116-02, NCGC00257802-01, Pentane, SAJ special grade, >=99.0%, Pentanes [UN1265]  [Flammable liquid], Pentane, spectrophotometric grade, >=99%, n-Pentane Solution in Methanol, 100ug/mL, n-Pentane Solution in Methanol, 1000ug/mL, NS00008602, P0048, P2621, Pentane, puriss. p.a., >=99.0% (GC), R-601, D91890, Pentane, Laboratory Reagent, >=95.0% (GC), F995196, 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; E 0121; NSC 72415; Norpar 5S; Skellysolve A; n-Pentane, Pentane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.0% (GC), 9078-70-0, AKS
Theoretical properties:
molecular_formula: C5H12
molecular_weight: 72.15 g/mol
exact_mass: 72.093900383 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 2
heavy_atom_count: 5
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid [Note: A gas above 97 degrees F. May be utilized as a fuel].
color: Colorless liquid [Note: A gas above 97 degrees F. May be utilized as a fuel].
odor: Pleasant
boiling_point: 97 °F at 760 mmHg (NTP, 1992)
melting_point: -202 °F (NTP, 1992)
density: 0.626 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 70 °F (NTP, 1992)
flash_point: -57 °F (NTP, 1992)
vapor_pressure: 400 mmHg at 65.3 °F ; 426 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Pentane is a straight chain alkane consisting of 5 carbon atoms. It has a role as a non-polar solvent and a refrigerant. It is a volatile organic compound and an alkane.
chebi: A straight chain alkane consisting of 5 carbon atoms.
chembl: PENTANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pentane is an organic compound with the formula C5H12—that is, an alkane with five carbon atoms. The term may refer to any of three structural isomers, or to a mixture of them: in the IUPAC nomenclature, however, pentane means exclusively the n-pentane isomer, in which case pentanes refers to a mixture of them; the other two are called isopentane (methylbutane) and neopentane (dimethylpropane). Cyclopentane is not an isomer of pentane because it has only 10 hydrogen atoms where pentane has 12.
Pentanes are components of some fuels and are employed as specialty solvents in the laboratory. Their properties are very similar to those of butanes and hexanes.