Chemical Properties of Benzoic acid, 3-methyl-, 2,3,4,6-tetrachlorophenyl ester

Benzoic acid, 3-methyl-, 2,3,4,6-tetrachlorophenyl ester

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InChI
InChI=1S/C14H8Cl4O2/c1-7-3-2-4-8(5-7)14(19)20-13-10(16)6-9(15)11(17)12(13)18/h2-6H,1H3
InChI Key
QZOPQAMVANOJJE-UHFFFAOYSA-N
Formula
C14H8Cl4O2
SMILES
Cc1cccc(C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c1
Molecular Weight1
350.02
Sources

Physical Properties

Property Value Unit Source
Δf -37.97 kJ/mol Joback Calculated Property
Δfgas -224.34 kJ/mol Joback Calculated Property
Δfus 37.73 kJ/mol Joback Calculated Property
Δvap 81.32 kJ/mol Joback Calculated Property
logPoct/wat 5.83 Crippen Calculated Property
Pc 2318.07 kPa Joback Calculated Property
Tboil 823.99 K Joback Calculated Property
Tc 1078.98 K Joback Calculated Property
Tfus 554.82 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 496.61 J/mol×K 823.99 Joback Calculated Property
η 0.00 Pa×s 823.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 7
-Cl 4
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Chlorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Methylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. Isophthalic acid, pentachlorophenyl propyl ester. Isophthalic acid, butyl pentachlorophenyl ester. Isophthalic acid, pentachlorophenyl pentyl ester. Benzoic acid, 2,4,5-trichlorophenyl ester. Isophthalic acid, isohexyl pentachlorophenyl ester. 4-Butylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Chlorobenzoic acid, 2,4,5-trichlorophenyl ester. 4-Methoxybenzoic acid, 2,4,5-trichlorophenyl ester. Isophthalic acid, butyl 2,3,5-trichlorophenyl ester. Isophthalic acid, isohexyl 2,4,5-trichlorophenyl ester. 2,3,4,6-Tetrachlorophenyl salicylate. Isophthalic acid, isobutyl 2,3,5-trichlorophenyl ester.

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