Chemical Properties of Monomethyl 2,3,5,6-tetrachloroterephthalate (CAS 887-54-7)

Monomethyl 2,3,5,6-tetrachloroterephthalate

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InChI
InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)
InChI Key
SXINVWXSZUQKSW-UHFFFAOYSA-N
Formula
C9H4Cl4O4
SMILES
COC(=O)c1c(Cl)c(Cl)c(C(=O)O)c(Cl)c1Cl
Molecular Weight1
317.94
CAS
887-54-7
Other Names
  • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 4-methyl ester
  • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, monomethyl ester
  • 2,3,5,6-Tetrachloro-4-(methoxycarbonyl)benzoic acid
  • Chlorthal monomethyl
  • Dacthal monoacid
  • Methyl 2,3,5,6-tetrachloroterephthalate
  • Methyl tetrachloroterephthalic acid ester
  • Monomethyl tetrachloroterephthalate
  • Terephthalic acid, tetrachloro-, monomethyl ester
  • Tetrachloroterephthalic acid methyl ester
  • Tetrachloroterephthalic acid, monomethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -458.22 kJ/mol Joback Calculated Property
Δfgas -622.48 kJ/mol Joback Calculated Property
Δfus 36.42 kJ/mol Joback Calculated Property
Δvap 91.34 kJ/mol Joback Calculated Property
logPoct/wat 3.79 Crippen Calculated Property
Pc 3181.14 kPa Joback Calculated Property
Tboil 828.96 K Joback Calculated Property
Tc 1053.81 K Joback Calculated Property
Tfus 444.86 ± 0.20 K NIST
Tfus 450.50 ± 0.20 K NIST
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 377.83 J/mol×K 828.96 Joback Calculated Property
η 0.00 Pa×s 828.96 Joback Calculated Property
ΔfusH 16.89 kJ/mol 444.3 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 4
>C=O (nonring) 2
-OH (alcohol) 1
=C< (ring) 6
-CH3 1

Similar Compounds

Benzoic acid, 2,3,6-trichloro-, methyl ester. Chlorthal. 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester. 2,3,6-Trichlorobenzoic acid. Ethyl-2,5-dichlorobenzoate. Phthalide, 4,5,6,7-tetrachloro-. Benzoic acid, 2,4-dichloro-, methyl ester. Benzoic acid, 2,4-dichloro-, ethyl ester. 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-. 2-Methoxyethyl 2-chlorobenzoate. 2-(2-Methoxyethoxy)ethyl 2-chlorobenzoate. 6-Chlorobenzoic acid, methyl ester. Ethyl-2-chlorobenzoate. Benzoic acid, 2,5-dichloro-. 2-Chlorobenzoic acid, 2-ethoxyethyl ester.

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