Chemical Properties of Butanoic acid, 3-oxo-, butyl ester (CAS 591-60-6)

Butanoic acid, 3-oxo-, butyl ester

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InChI
InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
InChI Key
REIYHFWZISXFKU-UHFFFAOYSA-N
Formula
C8H14O3
SMILES
CCCCOC(=O)CC(C)=O
Molecular Weight1
158.20
CAS
591-60-6
Other Names
  • Acetoacetic acid, butyl ester
  • Butyl acetoacetate
  • Butylester kyseliny acetoctove
Sources

Physical Properties

Property Value Unit Source
Δf -346.36 kJ/mol Joback Calculated Property
Δfgas -565.83 kJ/mol Joback Calculated Property
Δfus 20.86 kJ/mol Joback Calculated Property
Δvap 49.30 kJ/mol Joback Calculated Property
logPoct/wat 1.31 Crippen Calculated Property
Pc 2838.39 kPa Joback Calculated Property
Tboil 512.60 K Joback Calculated Property
Tc 697.35 K Joback Calculated Property
Tfus 302.01 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 298.67 J/mol×K 512.6 Joback Calculated Property
η 0.00 Pa×s 512.6 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 4
>C=O (nonring) 2
-CH3 2

Similar Compounds

Butanoic acid, 3-oxo-, propyl ester. Acetoacetic acid, n-amyl ester. Butanoic acid, 3-oxo-, ethyl ester. ISOAMYL ACETOACETATE. Butanoic acid, 3-oxo-, 2-methylpropyl ester. Butanoic acid, 3-oxo-, 1-methylpropyl ester. Ethyl propionylacetate. Butanoic acid, 3-oxo-, 2-propenyl ester. Butanoic acid, butyl ester. Butanoic acid, 3-oxo-, methyl ester. Amyl butanoate. Butanoic acid, anhydride. Butanoic acid, propyl ester. Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester. Pentanoic acid, pentyl ester.

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