Chemical Properties of O-toluic acid, 3,4-dichlorophenyl ester

O-toluic acid, 3,4-dichlorophenyl ester

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InChI
InChI=1S/C14H10Cl2O2/c1-9-4-2-3-5-11(9)14(17)18-10-6-7-12(15)13(16)8-10/h2-8H,1H3
InChI Key
KJYZJTRREBNGNX-UHFFFAOYSA-N
Formula
C14H10Cl2O2
SMILES
Cc1ccccc1C(=O)Oc1ccc(Cl)c(Cl)c1
Molecular Weight1
281.13
Other Names
  • o-Toluylic acid, 3,4-dichlorophenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 5.15 kJ/mol Joback Calculated Property
Δfgas -169.92 kJ/mol Joback Calculated Property
Δfus 30.11 kJ/mol Joback Calculated Property
Δvap 71.22 kJ/mol Joback Calculated Property
logPoct/wat 4.521 Crippen Calculated Property
Pc 2568.89 kPa Joback Calculated Property
Tboil 739.17 K Joback Calculated Property
Tc 989.16 K Joback Calculated Property
Tfus 469.94 K Joback Calculated Property
Vc 0.726 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 459.79 J/mol×K 739.17 Joback Calculated Property
η 0.0001289 Pa×s 739.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 7
=C< (ring) 5
-Cl 2
>C=O (nonring) 1

Similar Compounds

2-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. Benzoic acid, 3,4-dichlorophenyl ester. P-toluic acid, 3,4-dichlorophenyl ester. P-anisic acid, 3,4-dichlorophenyl ester. Phthalic acid, di(2,4,5-trichlorophenyl) ester. 4-Fluorobenzoic acid, 3,4-dichlorophenyl ester. 4-Ethylbenzoic acid, 3,4-dichlorophenyl ester. 3-Chlorobenzoic acid, 3,4-dichlorophenyl ester. 4-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. Phthalic acid, propyl 3,4,5-trichlorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 2-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. Benzoic acid, 2-methyl-, 4-benzyloxyphenyl ester. o-Toluic acid, 4-methoxyphenyl ester. Phthalic acid, butyl 3,4,5-trichlorophenyl ester.

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