Chemical Properties of Benzoic acid, phenyl ester (CAS 93-99-2)

Benzoic acid, phenyl ester

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InChI
InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChI Key
FCJSHPDYVMKCHI-UHFFFAOYSA-N
Formula
C13H10O2
SMILES
O=C(Oc1ccccc1)c1ccccc1
Molecular Weight1
198.22
CAS
93-99-2
Other Names
  • Phenyl benzoate
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6304.00 ± 3.00 kJ/mol NIST
Δcsolid -6309.00 ± 15.00 kJ/mol NIST
Δf 49.48 kJ/mol Joback Calculated Property
Δfgas -142.00 ± 3.00 kJ/mol NIST
Δfgas -152.00 ± 4.70 kJ/mol NIST
Δfgas -150.00 kJ/mol NIST
Δfsolid -241.00 ± 2.00 kJ/mol NIST
Δfsolid -241.00 ± 3.00 kJ/mol NIST
Δfsolid -238.00 ± 15.00 kJ/mol NIST
Δfus 20.30 kJ/mol Joback Calculated Property
Δsub 99.00 ± 0.40 kJ/mol NIST
Δsub 99.00 ± 0.40 kJ/mol NIST
Δvap 58.24 kJ/mol Joback Calculated Property
IE [8.63; 9.00] eV Show Hide
IE 8.80 ± 0.15 eV NIST
IE 8.76 eV NIST
IE 8.63 eV NIST
IE 9.00 eV NIST
IE 8.98 ± 0.05 eV NIST
logPoct/wat 2.91 Crippen Calculated Property
Pc 3235.66 kPa Joback Calculated Property
Tboil 571.70 K NIST
Tc 874.68 K Joback Calculated Property
Tfus 344.15 ± 1.50 K NIST
Tfus 341.00 ± 3.00 K NIST
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 366.53 J/mol×K 626.49 Joback Calculated Property
η 0.00 Pa×s 626.49 Joback Calculated Property
ΔvapH 62.40 kJ/mol 483.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 2
>C=O (nonring) 1
=CH- (ring) 10

Similar Compounds

1,4-Benzenediol, monobenzoate. Benzoic acid, 4-methylphenyl ester. Benzoic acid, 4-methyl-, phenyl ester. Diphenyl terephthalate. 1,3-Benzenediol, monobenzoate. Benzoic acid, 4-methoxy-, phenyl ester. P-toluic acid, 4-methoxyphenyl ester. p-Toluic acid, 4-benzyloxyphenyl ester. Resorcinol dibenzoate. 4-Fluorobenzoic acid, phenyl ester. Benzoic acid, 3-methylphenyl ester. 4-Bromobenzoic acid, phenyl ester. Benzoic acid, 4-cyano-, phenyl ester. p-Anisic acid, 4-methoxyphenyl ester. Benzoic acid, 2-naphthyl ester.

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