Chemical Properties of Butanoic acid, 3-methylphenyl ester (CAS 7476-80-4)

Butanoic acid, 3-methylphenyl ester

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InChI
InChI=1S/C11H14O2/c1-3-5-11(12)13-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChI Key
GYQSJJGXMUTZPU-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCCC(=O)Oc1cccc(C)c1
Molecular Weight1
178.23
CAS
7476-80-4
Other Names
  • Butyric acid, 3-methylphenyl ester
  • Butyric acid, m-tolyl ester
  • m-Cresyl butanoate
Sources

Physical Properties

Property Value Unit Source
Δf -89.40 kJ/mol Joback Calculated Property
Δfgas -290.11 kJ/mol Joback Calculated Property
Δfus 20.68 kJ/mol Joback Calculated Property
Δvap 52.17 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 2735.42 kPa Joback Calculated Property
Tboil 559.03 K Joback Calculated Property
Tc 769.35 K Joback Calculated Property
Tfus 324.83 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 346.15 J/mol×K 559.03 Joback Calculated Property
η 0.00 Pa×s 559.03 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Valeric acid, 3-methylphenyl ester. 4-Bromobutyric acid, 3-methylphenyl ester. Butyric acid, 3,5-dimethylphenyl ester. 4-Chlorobutyric acid, 3-methylphenyl ester. 5-Bromovaleric acid, 3-methylphenyl ester. Glutaric acid, di(3-methylphenyl) ester. Cyclopropanecarboxylic acid, 3-methylphenyl ester. 5-Chlorovaleric acid, 3-methylphenyl ester. Myristic acid, 3-methylphenyl ester. Nonoic acid, 3-methylphenyl ester. Sebacic acid, di(3-methylphenyl) ester. Octanoic acid, 3-methylphenyl ester. Valeric acid, 3,5-dimethylphenyl ester. 4-Bromobutyric acid, 3,5-dimethylphenyl ester. 2-Methylpropionic acid, 3-methylphenyl ester.

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