Isobutyric acid
Properties
- Molecular formula
- C4H8O2
- Molar mass
- 88.11 g/mol
- Exact mass
- 88.0524 Da
- Density
- 0.95 g/mL (at 20 °C)
- Melting point
- −47 °C
- Boiling point
- 152–155 °C
- logP
- 0.73Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
79-31-2SMILES
CC(C)C(=O)OInChIKey
KQNPFQTWMSNSAP-UHFFFAOYSA-NInChI
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Propanoic acid, 2-methyl-
- 2-Methylpropanoic acid
- Dimethylacetic acid
- Isopropylformic acid
- α-Methylpropionic acid
- 2-Methylpropionic acid
- iso-Butyric acid
- Isobutanoic acid
- α-Methylpropanoic acid
- i-Butyric acid
- NSC 62780
- 2-Propanecarboxylic acid
- 2-Methyl-1-propanoic acid
- Isobutyrates
Work with Isobutyric acid
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
Methylmalonic acid516-05-258 % similar
D-Lactic acid10326-41-752 % similar
Poly[(+)-lactic acid]106989-11-152 % similar
Polylactic acid26100-51-652 % similar
Lactic acid50-21-552 % similar
Lactic acid598-82-352 % similar
2-(1-Methylethyl)propanedioic acid601-79-652 % similar
L-Lactic acid79-33-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds