Chemical Properties of Benzoic acid, 3,5-dichloro-, methyl ester (CAS 2905-67-1)

Benzoic acid, 3,5-dichloro-, methyl ester

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InChI
InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI Key
BTEVDFJXGLQUDS-UHFFFAOYSA-N
Formula
C8H6Cl2O2
SMILES
COC(=O)c1cc(Cl)cc(Cl)c1
Molecular Weight1
205.04
CAS
2905-67-1
Other Names
  • Methyl-3,5-dichlorobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -148.15 kJ/mol Joback Calculated Property
Δfgas -271.14 kJ/mol Joback Calculated Property
Δfus 20.92 kJ/mol Joback Calculated Property
Δvap 54.93 kJ/mol Joback Calculated Property
logPoct/wat 2.78 Crippen Calculated Property
Pc 3407.89 kPa Joback Calculated Property
Tboil 570.23 K Joback Calculated Property
Tc 801.88 K Joback Calculated Property
Tfus 363.38 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 258.56 J/mol×K 570.23 Joback Calculated Property
η 0.00 Pa×s 570.23 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 3
=C< (ring) 3
-Cl 2
>C=O (nonring) 1

Similar Compounds

3-Cl-C6H4-COOCH3. Benzoic acid, 3-chloro-, ethyl ester. 3,5-Dichlorobenzoic acid. 3-Chlorobenzoic acid, isopropyl ester. Benzoic acid, 3-chloro, 2-propenyl ester. 3-Chlorobenzoic acid, 2-methoxyethyl ester. Benzoic acid, (3,5-dichlorophenyl)methyl ester. Prop-2-ynyl 3-chlorobenzoate. Benzoic acid, 3-chloro, propyl ester. Benzoic acid, 3-chloro, 2-chloroethyl ester. (E)-But-2-enyl 3-chlorobenzoate. But-3-enyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-ethoxyethyl ester. Benzoic acid, 3-chloro-. 2,2-Dichloroethyl 3-chlorobenzoate.

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