Chemical Properties of Benzoic acid, 4-methylphenyl ester (CAS 614-34-6)

Benzoic acid, 4-methylphenyl ester

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InChI
InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key
LLRZUDIHEZXFGV-UHFFFAOYSA-N
Formula
C14H12O2
SMILES
Cc1ccc(OC(=O)c2ccccc2)cc1
Molecular Weight1
212.24
CAS
614-34-6
Other Names
  • 4-Methylphenyl benzoate
  • Benzoic acid, 4-tolyl ester
  • Benzoic acid, p-tolyl ester
  • p-Cresyl benzoate
  • p-Tolyl benzoate
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
IE 8.27 eV NIST
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
>C=O (nonring) 1
=CH- (ring) 9

Similar Compounds

Benzoic acid, 4-methoxy-, phenyl ester. Benzoic acid, phenyl ester. 1,4-Benzenediol, monobenzoate. p-Anisic acid, 4-methoxyphenyl ester. P-anisic acid, 4-cyanophenyl ester. Benzoic acid, 4-isopropyl phenyl ester. P-toluic acid, 4-cyanophenyl ester. Benzoic acid, 4-methyl-, phenyl ester. Diphenyl terephthalate. Benzoic acid, 3-methylphenyl ester. 1,3-Benzenediol, monobenzoate. p-Anisic acid, 3-methylphenyl ester. P-toluic acid, 4-methoxyphenyl ester. p-Toluic acid, 4-benzyloxyphenyl ester. Resorcinol dibenzoate.

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