1.0 2010-04-08 22:04:42 UTC 2020-02-24 19:10:14 UTC FDB000768 Pentane Present in hop oil Pentane is any or one of the organic compounds with the formula C5H12. This alkane is a component of some fuels and is employed as a specialty solvent in the laboratory. Its properties are very similar to those of butane and hexane. It exists in three structural isomers, the branched isomers are called isopentane and neopentane.; Pentane is one of the primary blowing agents used in the production of polystyrene foam. Pentane is found in kohlrabi, soy bean, and alcoholic beverages. CH3-[CH2]3-CH3 N-Pentane Pentan R-601 C5H12 72.1488 72.093900384 pentane pentane 109-66-0 CCCCC InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 OFBQJSOFQDEBGM-UHFFFAOYSA-N belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Acyclic alkane Aliphatic acyclic compound Alkane Hydrocarbons a small molecule alkane logp 3.41 ALOGPS logs -2.54 ALOGPS solubility 2.10e-01 g/l ALOGPS melting_point Fp -129° logp 2.69 ChemAxon iupac pentane ChemAxon average_mass 72.1488 ChemAxon mono_mass 72.093900384 ChemAxon smiles CCCCC ChemAxon formula C5H12 ChemAxon inchi InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 ChemAxon inchikey OFBQJSOFQDEBGM-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 24.81 ChemAxon polarizability 10.27 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 835 Specdb::NmrOneD 2133 Specdb::NmrOneD 2821 Specdb::CMs 3000 Specdb::CMs 29526 Specdb::CMs 29537 Specdb::CMs 29947 Specdb::CMs 100360 Specdb::CMs 100361 Specdb::CMs 100362 Specdb::CMs 154704 Specdb::MsMs 74415 Specdb::MsMs 74416 Specdb::MsMs 74417 Specdb::MsMs 133800 Specdb::MsMs 133801 Specdb::MsMs 133802 Specdb::MsMs 2462628 Specdb::MsMs 2462629 Specdb::MsMs 2462630 Specdb::MsMs 2499077 Specdb::MsMs 2499078 Specdb::MsMs 2499079 HMDB29603 37830 LNK #<Reference:0x000055ce32312e90> #<Reference:0x000055ce32312cd8> Alcoholic beverages Unknown generic Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.076 0.076 0.076 mg/100 g Soy bean Type 1 specific Glycine max 3847 alkane