Ethyl hexanoate
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Density
- 0.8733 g/mL (at 19 °C)
- Melting point
- −67 °C
- Boiling point
- 167 °C
- logP
- 2.13Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Identifiers
CAS number
123-66-0SMILES
CCCCCC(=O)OCCInChIKey
SHZIWNPUGXLXDT-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Hexanoic acid, ethyl ester
- Ethyl caproate
- Caproic acid ethyl ester
- Ethyl capronate
- NSC 8882
Work with Ethyl hexanoate
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
Ethyl heptanoate106-30-996 % similar
Ethyl octanoate106-32-196 % similar
Ethyl dodecanoate106-33-296 % similar
Ethyl decanoate110-38-396 % similar
Ethyl stearate111-61-596 % similar
Ethyl nonanoate123-29-596 % similar
Ethyl myristate124-06-196 % similar
Ethyl heptadecanoate14010-23-296 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds