chempirical

Vinyl butyrate

C6H10O2CAS 123-20-6114.14 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Density
0.8966 g/mL (at 20 °C)
Melting point
116.7 °C
Boiling point
107–108 °C
logP
1.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
123-20-6
SMILES
C=COC(=O)CCC
InChIKey
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Butanoic acid, ethenyl ester
  • Butyric acid, vinyl ester
  • Vinyl butanoate
  • Vinyl n-butyrate
  • NSC 5280
  • Ethenyl butanoate

Work with Vinyl butyrate

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

Vinyl hexanoate3050-69-975 % similar Vinyl stearate111-63-772 % similar Vinyl decanoate4704-31-872 % similar Divinyl adipate4074-90-265 % similar Vinyl propionate105-38-463 % similar Allyl butyrate2051-78-755 % similar Butyric anhydride106-31-054 % similar 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-550 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook