Ethyl heptanoate
Properties
- Molecular formula
- C9H18O2
- Molar mass
- 158.24 g/mol
- Exact mass
- 158.1307 Da
- Density
- 0.7775 g/mL (at 20 °C)
- Melting point
- −66.1 °C
- Boiling point
- 187 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 6
Hazards
Warning
- H226 Flammable liquid and vapor72.5% of notifiers
Aggregated from 1,671 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
106-30-9SMILES
CCCCCCC(=O)OCCInChIKey
TVQGDYNRXLTQAP-UHFFFAOYSA-NInChI
InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Heptanoic acid, ethyl ester
- Enanthic acid, ethyl ester
- Cognac oil
- Enanthylic ether
- Ethyl enanthate
- Ethyl heptoate
- Ethyl heptylate
- Ethyl oenanthate
- Ethyl oenanthylate
- Oenanthic ether
- Ethyl n-heptanoate
- NSC 8891
Work with Ethyl heptanoate
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 octanoate106-32-1100 % 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 nonadecanoate18281-04-4100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.