Chemical Properties of 3-Cl-C6H4-COOCH3 (CAS 2905-65-9)

3-Cl-C6H4-COOCH3

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InChI
InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI Key
XRDRKVPNHIWTBX-UHFFFAOYSA-N
Formula
C8H7ClO2
SMILES
COC(=O)c1cccc(Cl)c1
Molecular Weight1
170.59
CAS
2905-65-9
Other Names
  • 3-Cl-C6H4-COOCH3
  • Benzoic acid, m-chloro-, methyl ester
  • Methyl 3-chlorobenzoate
  • Methyl m-chlorobenzoate
  • m-Chlorobenzoic acid methyl ester
Sources

Physical Properties

Property Value Unit Source
PAff 835.40 kJ/mol NIST
BasG 804.40 kJ/mol NIST
Δf -126.59 kJ/mol Joback Calculated Property
Δfgas -243.93 kJ/mol Joback Calculated Property
Δfus 17.11 kJ/mol Joback Calculated Property
Δvap 49.88 kJ/mol Joback Calculated Property
logPoct/wat 2.13 Crippen Calculated Property
Pc 3624.61 kPa Joback Calculated Property
Tboil 504.20 K NIST
Tboil 373.20 K NIST
Tc 753.98 K Joback Calculated Property
Tfus 320.94 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 237.52 J/mol×K 527.82 Joback Calculated Property
η 0.00 Pa×s 527.82 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 3,5-dichloro-, methyl ester. Benzoic acid, 3-chloro-, ethyl ester. Benzoic acid, 3-chloro, 2-propenyl ester. 3-Chlorobenzoic acid, isopropyl ester. Prop-2-ynyl 3-chlorobenzoate. Benzoic acid, 3-chloro, propyl ester. 3-Chlorobenzoic acid, 2-methoxyethyl ester. Benzoic acid, 3-chloro, 2-chloroethyl ester. (E)-But-2-enyl 3-chlorobenzoate. Benzoic acid, 3-chloro-. But-3-enyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-ethoxyethyl ester. Benzoic acid, 3-chloro-, anhydride. Isobutyl 3-chlorobenzoate. 2,2-Dichloroethyl 3-chlorobenzoate.

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