Chemical Properties of Diphenyl terephthalate (CAS 1539-04-4)

Diphenyl terephthalate

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InChI
InChI=1S/C20H14O4/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18/h1-14H
InChI Key
HPGJOUYGWKFYQW-UHFFFAOYSA-N
Formula
C20H14O4
SMILES
O=C(Oc1ccccc1)c1ccc(C(=O)Oc2ccccc2)cc1
Molecular Weight1
318.32
CAS
1539-04-4
Other Names
  • 1,4-Benzenedicarboxylic acid, diphenyl ester
  • Terephthalic acid, diphenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -22.72 kJ/mol Joback Calculated Property
Δfgas -247.61 kJ/mol Joback Calculated Property
Δfus 34.86 kJ/mol Joback Calculated Property
Δvap 85.92 kJ/mol Joback Calculated Property
logPoct/wat 4.13 Crippen Calculated Property
Pc 2338.29 kPa Joback Calculated Property
Tboil 894.60 K Joback Calculated Property
Tc 1152.17 K Joback Calculated Property
Tfus 551.26 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 680.56 J/mol×K 894.6 Joback Calculated Property
η 0.00 Pa×s 894.6 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< (ring) 4
>C=O (nonring) 2
=CH- (ring) 14

Similar Compounds

Benzoic acid, 4-methyl-, phenyl ester. P-toluic acid, 4-methoxyphenyl ester. p-Toluic acid, 4-benzyloxyphenyl ester. Benzoic acid, phenyl ester. Benzoic acid, 4-cyano-, phenyl ester. Terephthalic acid, di(3-methoxyphenyl) 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. Benzoic acid, 4-methylphenyl ester. P-toluic acid, 2-naphthyl ester. P-toluic acid, 3,5-dimethylphenyl ester. Benzoic acid, 4-methoxy-, phenyl ester.

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