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CHEBI:37830 - pentane
| Formula | C5H12 |
| Net Charge | 0 |
| Average Mass | 72.151 |
| Monoisotopic Mass | 72.09390 |
| SMILES | CCCCC |
| InChI | InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 |
| InChIKey | OFBQJSOFQDEBGM-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | |
| Applications: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 |
| Synonyms | Source |
|---|---|
| CH3‒[CH2]3‒CH3 | IUPAC |
| n-pentane | NIST Chemistry WebBook |
| Pentan | NIST Chemistry WebBook |
| PENTANE | PDBeChem |
| R-601 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029603 | HMDB |
| LNK | PDBeChem |
| Pentane | Wikipedia |
| Citations |
|---|