Pentane
Properties
- Molecular formula
- C5H12
- Molar mass
- 72.15 g/mol
- Exact mass
- 72.0939 Da
- Density
- 0.6264 g/mL (at 20 °C)
- Melting point
- −129.7 °C
- Boiling point
- 36.1 °C
- Flash point
- -49 °C (closed cup)
- Water solubility
- 38 mg/L (25 °C)
- logP
- 2.20Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H304 May be fatal if swallowed and enters airwaysAspiration hazard
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P319, P331, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
109-66-0SMILES
CCCCCInChIKey
OFBQJSOFQDEBGM-UHFFFAOYSA-NInChI
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- n-Pentane
- Skellysolve A
- Norpar 5S
- NSC 72415
- E 0121
- M 004
- Exxsol pentane 80
- Guchen MG 132
- MG 132
Reactions
Work with Pentane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Hexane110-54-378 % similar
Octane111-65-970 % similar
Nonane111-84-270 % similar
Dodecane112-40-370 % similar
Icosane112-95-870 % similar
Undecane1120-21-470 % similar
Decane124-18-570 % similar
Tetratriacontane14167-59-070 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds