CHEBI:37830 - pentane

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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
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Formula C5H12
Net Charge 0
Average Mass 72.14878
Monoisotopic Mass 72.094
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

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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-pentanol (CHEBI:77518) has parent hydride pentane (CHEBI:37830)
3-deoxypentitol (CHEBI:111506) has parent hydride pentane (CHEBI:37830)
3-pentanol (CHEBI:77519) 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)
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
Synonyms Sources
CH3‒[CH2]3‒CH3 IUPAC
n-pentane NIST Chemistry WebBook
Pentan NIST Chemistry WebBook
PENTANE PDBeChem
R-601 ChEBI
Database Links Databases
HMDB0029603 HMDB
LNK PDBeChem
Pentane Wikipedia
View more database links
Registry Numbers Types Sources
109-66-0 CAS Registry Number ChemIDplus
109-66-0 CAS Registry Number NIST Chemistry WebBook
1766 Gmelin Registry Number Gmelin
969132 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
14664856 PubMed citation Europe PMC
24284369 PubMed citation Europe PMC
24702114 PubMed citation Europe PMC
Last Modified
15 December 2016