Chemical Properties of Benzoic acid, 3-methylphenyl ester

Benzoic acid, 3-methylphenyl ester

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InChI
InChI=1S/C14H12O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h2-10H,1H3
InChI Key
XYKFCIJKMCQULO-UHFFFAOYSA-N
Formula
C14H12O2
SMILES
Cc1cccc(OC(=O)c2ccccc2)c1
Molecular Weight1
212.24
Sources

Physical Properties

Property Value Unit Source
Δf 48.27 kJ/mol Joback Calculated Property
Δfgas -115.50 kJ/mol Joback Calculated Property
Δfus 22.50 kJ/mol Joback Calculated Property
Δvap 61.13 kJ/mol Joback Calculated Property
logPoct/wat 3.21 Crippen Calculated Property
Pc 2862.74 kPa Joback Calculated Property
Tboil 654.35 K Joback Calculated Property
Tc 898.02 K Joback Calculated Property
Tfus 385.06 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 415.01 J/mol×K 654.35 Joback Calculated Property
η 0.00 Pa×s 654.35 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 3
-CH3 1
=CH- (ring) 9
>C=O (nonring) 1

Similar Compounds

p-Toluylic acid, 3-methylphenyl ester. p-Anisic acid, 3-methylphenyl ester. Benzoic acid, 3-ethylphenyl ester. P-toluic acid, 3,5-dimethylphenyl ester. 4-Fluorobenzoic acid, 3-methylphenyl ester. P-anisic acid, 3,5-dimethylphenyl ester. m-Toluic acid, 3-methylphenyl ester. 4-Ethylbenzoic acid, 3-methylphenyl ester. m-Anisic acid, 3-methylphenyl ester. M-toluic acid, 3,5-dimethylphenyl ester. 4-Methylbenzoic acid, 3-ethylphenyl ester. Benzoic acid, phenyl ester. 4-Chlorobenzoic acid, 3,5-dimethylphenyl ester. M-methoxybenzoic acid, phenyl ester. Benzoic acid, 4-methylphenyl ester.

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