Chemical Properties of Chlorthal (CAS 2136-79-0)

Chlorthal

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InChI
InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChI Key
KZCBXHSWMMIEQU-UHFFFAOYSA-N
Formula
C8H2Cl4O4
SMILES
O=C(O)c1c(Cl)c(Cl)c(C(=O)O)c(Cl)c1Cl
Molecular Weight1
303.91
CAS
2136-79-0
Other Names
  • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-
  • 2,3,5,6-Tetrachloroterephthalic acid
  • Dacthal diacid
  • TCTP (terephthalic acid, tetrachloro)
  • Terephthalic acid, tetrachloro-
  • Tetrachloroterephthalic acid
Sources

Physical Properties

Property Value Unit Source
Δf -498.46 kJ/mol Joback Calculated Property
Δfgas -621.85 kJ/mol Joback Calculated Property
Δfus 36.73 kJ/mol Joback Calculated Property
Δvap 103.38 kJ/mol Joback Calculated Property
logPoct/wat 3.697 Crippen Calculated Property
Pc 4067.32 kPa Joback Calculated Property
Tboil 875.84 K Joback Calculated Property
Tc 1095.11 K Joback Calculated Property
Tfus 610.12 K Joback Calculated Property
Vc 0.622 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 335.90 J/mol×K 875.84 Joback Calculated Property
η 0.0000071 Pa×s 875.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 6
-OH (alcohol) 2
>C=O (nonring) 2
-Cl 4

Similar Compounds

2,3,6-Trichlorobenzoic acid. Monomethyl 2,3,5,6-tetrachloroterephthalate. Benzoic acid, 2,3,6-trichloro-, methyl ester. Benzoic acid, 2,5-dichloro-. 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester. Benzoic acid, 2,6-dichloro-. Benzoic acid, 2,4,6-trichloro-. 2,3,6-Trichlorobenzaldehyde. P-toluic acid, 3-chloro-. Ethyl-2,5-dichlorobenzoate. 2,4-Dichlorobenzoic acid. Benzoic acid, 2-chloro-. Benzoic acid, 2,4-dichloro-, methyl ester. Benzoic acid, 2,4-dichloro-, ethyl ester. Phthalide, 4,5,6,7-tetrachloro-.

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