Chemical Properties of Benzoic acid, 2,3-dimethylphenyl ester

Benzoic acid, 2,3-dimethylphenyl ester

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InChI
InChI=1S/C15H14O2/c1-11-7-6-10-14(12(11)2)17-15(16)13-8-4-3-5-9-13/h3-10H,1-2H3
InChI Key
TZPYIYZPLKAWSC-UHFFFAOYSA-N
Formula
C15H14O2
SMILES
Cc1cccc(OC(=O)c2ccccc2)c1C
Molecular Weight1
226.27
Sources

Physical Properties

Property Value Unit Source
Δf 47.06 kJ/mol Joback Calculated Property
Δfgas -147.61 kJ/mol Joback Calculated Property
Δfus 24.70 kJ/mol Joback Calculated Property
Δvap 64.02 kJ/mol Joback Calculated Property
logPoct/wat 3.52 Crippen Calculated Property
Pc 2550.76 kPa Joback Calculated Property
Tboil 682.21 K Joback Calculated Property
Tc 921.60 K Joback Calculated Property
Tfus 408.85 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 464.87 J/mol×K 682.21 Joback Calculated Property
η 0.00 Pa×s 682.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 4
>C=O (nonring) 1
-CH3 2
=CH- (ring) 8

Similar Compounds

4-Fluorobenzoic acid, 2,3-dimethylphenyl ester. 1-Naphthoic acid, 2,3-dimethylphenyl ester. Phthalic acid, di(2,3-dimethylphenyl) ester. 2-Chlorobenzoic acid, 2,3-dimethylphenyl ester. m-Methoxybenzoic acid, 2-methylphenyl ester. 2-Bromobenzoic acid, 2,3-dimethylphenyl ester. P-toluic acid, 2-methylphenyl ester. Isophthalic acid, di(2,5-dimethylphenyl) ester. 2-Fluorobenzoic acid, 2,3-dimethylphenyl ester. p-Methoxybenzoic acid, 2-methylphenyl ester. Benzoic acid, 3-methylphenyl ester. 4-Cyanobenzoic acid, 2-methylphenyl ester. Isophthalic acid, di(2-methylphenyl) ester. o-Toluic acid, 3-methylphenyl ester. 4-Fluorobenzoic acid, 2-methylphenyl ester.

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