Chemical Properties of Benzoic acid, 4-methyl-, phenyl ester (CAS 1900-85-2)

Benzoic acid, 4-methyl-, phenyl ester

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InChI
InChI=1S/C14H12O2/c1-11-7-9-12(10-8-11)14(15)16-13-5-3-2-4-6-13/h2-10H,1H3
InChI Key
WOHDXQQIBRMRFA-UHFFFAOYSA-N
Formula
C14H12O2
SMILES
Cc1ccc(C(=O)Oc2ccccc2)cc1
Molecular Weight1
212.24
CAS
1900-85-2
Other Names
  • p-Toluic acid, phenyl ester
  • p-Toluylic acid, phenyl ester
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
>C=O (nonring) 1
-CH3 1
=CH- (ring) 9

Similar Compounds

Diphenyl terephthalate. P-toluic acid, 4-methoxyphenyl ester. p-Toluic acid, 4-benzyloxyphenyl ester. Benzoic acid, phenyl ester. Benzoic acid, 4-cyano-, phenyl ester. 1,4-Benzenediol, monobenzoate. p-Toluylic acid, 3-methylphenyl ester. P-toluic acid, 4-cyanophenyl ester. 4-Ethylbenzoic acid, 4-methoxyphenyl ester. 4-Ethylbenzoic acid, 4-benzyloxyphenyl ester. Terephthalic acid, di(3-methoxyphenyl) ester. Benzoic acid, 4-methylphenyl ester. P-toluic acid, 2-naphthyl ester. P-toluic acid, 3,5-dimethylphenyl ester. 1,3-Benzenediol, monobenzoate.

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