Pentyl propanoate
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Melting point
- −73.1 °C
- Boiling point
- 168.6 °C
- logP
- 2.13Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Identifiers
CAS number
624-54-4SMILES
CCCCCOC(=O)CCInChIKey
TWSRVQVEYJNFKQ-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Propanoic acid, pentyl ester
- Propionic acid, pentyl ester
- Amyl propionate
- Pentyl propionate
- n-Pentyl propionate
- Amyl propanoate
- n-Amyl propionate
- n-Pentyl propanoate
- NSC 7931
Work with Pentyl propanoate
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
Hexyl propanoate2445-76-396 % similar
Butyl propionate590-01-288 % similar
Propyl propanoate106-36-572 % similar
Pentyl pentanoate2173-56-070 % similar
Pentyl hexanoate540-07-870 % similar
Pentyl butyrate540-18-170 % similar
Octyl butyrate110-39-468 % similar
Dioctyl adipate123-79-568 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds