Isopentane
Properties
- Molecular formula
- C5H12
- Molar mass
- 72.15 g/mol
- Exact mass
- 72.0939 Da
- Density
- 0.6201 g/mL (at 20 °C)
- Melting point
- −159.9 °C
- Boiling point
- 27.8 °C
- Flash point
- -51.1 °C (closed cup)
- Water solubility
- 48 mg/L (25 °C)
- logP
- 2.05Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H224 Extremely 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, index 601-085-00-2), 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
78-78-4SMILES
CCC(C)CInChIKey
QWTDNUCVQCZILF-UHFFFAOYSA-NInChI
InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Butane, 2-methyl-
- 2-Methylbutane
- iso-Pentane
- 1,1,2-Trimethylethane
- Methylbutane
- Borger isopentane
- Exxsol isopentane S
- NSC 119476
- R 601A
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 78-78-4. Each row opens the sheet with its composition and PDF.
Work with Isopentane
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
(±)-2,4-Dimethylhexane589-43-550 % similar
2,5-Dimethylheptane2216-30-047 % similar
3,4-Dimethylhexane583-48-247 % similar
3-Methylpentane96-14-047 % similar
2,4-Dimethylpentane108-08-743 % similar
2,6-Dimethyloctane2051-30-143 % similar
2,5-Dimethylhexane592-13-243 % similar
2-Methylpentane107-83-541 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.