pentane (CHEBI:37830)

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ChEBI Name	pentane

ChEBI ID	CHEBI:37830

Definition	A straight chain alkane consisting of 5 carbon atoms.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:43771, CHEBI:25888, CHEBI:25889

Supplier Information

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Formula

C5H12

Net Charge

Average Mass

72.14878

Monoisotopic Mass

72.09390

InChI

InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

InChIKey

OFBQJSOFQDEBGM-UHFFFAOYSA-N

SMILES

CCCCC

Roles Classification
Chemical Role(s):	non-polar solvent

Application(s):	refrigerant A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure. non-polar solvent

ChEBI Ontology
Outgoing	pentane (CHEBI:37830) has role non-polar solvent (CHEBI:48355) pentane (CHEBI:37830) has role refrigerant (CHEBI:78433) pentane (CHEBI:37830) is a alkane (CHEBI:18310) pentane (CHEBI:37830) is a volatile organic compound (CHEBI:134179)

Incoming	1,3,5-pentanetriol (CHEBI:131187) has parent hydride pentane (CHEBI:37830) 2-methyl-1-pentene (CHEBI:141562) has parent hydride pentane (CHEBI:37830) 3-deoxypentitol (CHEBI:111506) has parent hydride pentane (CHEBI:37830) 3-mercaptopentanol (CHEBI:156144) has parent hydride pentane (CHEBI:37830) 6-(methylthio)hexanonitrile oxide (CHEBI:136942) has parent hydride pentane (CHEBI:37830) pentan-3-amine (CHEBI:84248) has parent hydride pentane (CHEBI:37830) pentane-2,3-dione (CHEBI:52774) has parent hydride pentane (CHEBI:37830) pentanol (CHEBI:143597) has parent hydride pentane (CHEBI:37830) perfluoropentane (CHEBI:39428) has parent hydride pentane (CHEBI:37830) pentan-2-yl group (CHEBI:32880) is substituent group from pentane (CHEBI:37830) pentan-3-yl group (CHEBI:32881) is substituent group from pentane (CHEBI:37830) pentyl group (CHEBI:25902) is substituent group from pentane (CHEBI:37830)

IUPAC Name

pentane

Last Modified

17 July 2020