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

4-Butylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester

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InChI
InChI=1S/C17H14Cl4O2/c1-2-3-4-10-5-7-11(8-6-10)17(22)23-16-13(19)9-12(18)14(20)15(16)21/h5-9H,2-4H2,1H3
InChI Key
VJFPTLHFDFYZGH-UHFFFAOYSA-N
Formula
C17H14Cl4O2
SMILES
CCCCc1ccc(C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2Cl)cc1
Molecular Weight1
392.10
Sources

Physical Properties

Property Value Unit Source
Δf -12.71 kJ/mol Joback Calculated Property
Δfgas -286.26 kJ/mol Joback Calculated Property
Δfus 45.50 kJ/mol Joback Calculated Property
Δvap 87.99 kJ/mol Joback Calculated Property
logPoct/wat 6.86 Crippen Calculated Property
Pc 1787.88 kPa Joback Calculated Property
Tboil 892.63 K Joback Calculated Property
Tc 1134.80 K Joback Calculated Property
Tfus 588.63 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 658.63 J/mol×K 892.63 Joback Calculated Property
η 0.00 Pa×s 892.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 4
=CH- (ring) 5
=C< (ring) 7
-CH2- 3
-CH3 1
>C=O (nonring) 1

Similar Compounds

4-Butylbenzoic acid, 2,4,5-trichlorophenyl ester. 4-Methylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. Benzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Chlorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. Benzoic acid, 3-methyl-, 2,3,4,6-tetrachlorophenyl ester. Benzoic acid, 2,4,5-trichlorophenyl ester. 4-Chlorobenzoic acid, 2,4,5-trichlorophenyl ester. 2,3,4,6-Tetrachlorophenyl salicylate. 4-Methoxybenzoic acid, 2,4,5-trichlorophenyl ester. Isophthalic acid, pentachlorophenyl propyl ester. 1-Naphthoic acid, 2,3,4,6-tetrachlorophenyl ester. Isophthalic acid, butyl pentachlorophenyl ester. Isophthalic acid, pentachlorophenyl pentyl ester. 3-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester. Isophthalic acid, isohexyl pentachlorophenyl ester.

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