Chemical Properties of Butanoic acid, phenyl ester (CAS 4346-18-3)

Butanoic acid, phenyl ester

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InChI
InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChI Key
IGVPBCZDHMIOJH-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CCCC(=O)Oc1ccccc1
Molecular Weight1
164.20
CAS
4346-18-3
Other Names
  • Butyric acid, phenyl ester
  • Phenyl butyrate
Sources

Physical Properties

Property Value Unit Source
Δf -88.19 kJ/mol Joback Calculated Property
Δfgas -258.00 kJ/mol Joback Calculated Property
Δfus 18.48 kJ/mol Joback Calculated Property
Δvap 49.29 kJ/mol Joback Calculated Property
logPoct/wat 2.39 Crippen Calculated Property
Pc 3082.99 kPa Joback Calculated Property
Tboil 500.65 ± 1.00 K NIST
Tc 743.85 K Joback Calculated Property
Tfus 301.04 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 300.47 J/mol×K 531.17 Joback Calculated Property
η 0.00 Pa×s 531.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 2
>C=O (nonring) 1

Similar Compounds

Pentanoic acid, phenyl ester. Butyric acid, p-methoxyphenyl ester. Propanoic acid, phenyl ester. 4-Chlorobutyric acid, phenyl ester. Hexanoic acid, phenyl ester. Succinic acid, diphenyl ester. Diphenyl succinate. Adipic acid, diphenyl ester. Heptanoic acid, phenyl ester. Myristic acid, phenyl ester. Sebacic acid, diphenyl ester. Valeric acid, 4-methoxyphenyl ester. 4-Bromobutyric acid, 4-methoxyphenyl ester. Propanoic acid, 4-methoxyphenyl ester. 4-Chlorobutyric acid, 4-methoxyphenyl ester.

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