chempirical

Isopentane

C5H12CAS 78-78-472.15 g/mol

Open in Covalent MOL file

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
logP
2.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
78-78-4
SMILES
CCC(C)C
InChIKey
QWTDNUCVQCZILF-UHFFFAOYSA-N
InChI
InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3

Weigh 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

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 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 3-Ethyl-2-methylpentane609-26-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pentane109-66-0 Neopentane463-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia