Ethyl octanoate
Properties
- Molecular formula
- C10H20O2
- Molar mass
- 172.27 g/mol
- Exact mass
- 172.1463 Da
- Melting point
- −43.1 °C
- Boiling point
- 208.5 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 7
Identifiers
CAS number
106-32-1SMILES
CCCCCCCC(=O)OCCInChIKey
YYZUSRORWSJGET-UHFFFAOYSA-NInChI
InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Octanoic acid, ethyl ester
- Ethyl caprylate
- Ethyl n-octanoate
- Caprylic acid ethyl ester
- Et caprylate
- NSC 8898
Work with Ethyl octanoate
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 heptanoate106-30-9100 % similar
Ethyl dodecanoate106-33-2100 % similar
Ethyl decanoate110-38-3100 % similar
Ethyl stearate111-61-5100 % similar
Ethyl nonanoate123-29-5100 % similar
Ethyl myristate124-06-1100 % similar
Ethyl heptadecanoate14010-23-2100 % similar
Ethyl eicosanoate18281-05-5100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds