chempirical

Ethyl pentanoate

C7H14O2CAS 539-82-2130.19 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C7H14O2
Molar mass
130.19 g/mol
Exact mass
130.0994 Da
Density
0.8743 g/mL (at 20 °C)
Melting point
−91.2 °C
Boiling point
146.1 °C
logP
1.74Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
539-82-2
SMILES
CCCCC(=O)OCC
InChIKey
ICMAFTSLXCXHRK-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Pentanoic acid, ethyl ester
  • Valeric acid, ethyl ester
  • Ethyl valerate
  • Ethyl n-valerate
  • Ethyl n-pentanoate
  • NSC 8868

Work with Ethyl pentanoate

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 hexanoate123-66-088 % similar Ethyl heptanoate106-30-984 % similar Ethyl octanoate106-32-184 % similar Ethyl dodecanoate106-33-284 % similar Ethyl decanoate110-38-384 % similar Ethyl stearate111-61-584 % similar Ethyl nonanoate123-29-584 % similar Ethyl myristate124-06-184 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Propyl butyrate105-66-8 Methyl hexanoate106-70-7 4-Methoxy-4-methyl-2-pentanone107-70-0 Ethyl isovalerate108-64-5 Enanthic acid111-14-8 2,2-Dimethylpentanoic acid1185-39-3 Isoamyl acetate123-92-2 tert-Butyl propionate20487-40-5

Elsewhere

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