Chemical Properties of Benzenesulfonic acid, methyl ester (CAS 80-18-2)

Benzenesulfonic acid, methyl ester

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InChI
InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key
CZXGXYBOQYQXQD-UHFFFAOYSA-N
Formula
C7H8O3S
SMILES
COS(=O)(=O)c1ccccc1
Molecular Weight1
172.20
CAS
80-18-2
Other Names
  • 20ND3-5
  • Methyl benzenesulfonate
  • Methyl ester of benzenesulphonic acid
  • methyl benzenesulphonate
Sources

Physical Properties

Property Value Unit Source
Δf -453.07 kJ/mol Joback Calculated Property
Δfgas -536.85 kJ/mol Joback Calculated Property
Δfus 20.49 kJ/mol Joback Calculated Property
Δvap 54.50 kJ/mol Joback Calculated Property
logPoct/wat 1.022 Crippen Calculated Property
Pc 4952.36 kPa Joback Calculated Property
Tboil 423.00 K NIST
Tc 661.30 K Joback Calculated Property
Tfus 255.86 K Joback Calculated Property
Vc 0.464 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 231.08 J/mol×K 456.44 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-S- 1
=O 2
-CH3 1

Similar Compounds

Ethyl benzenesulfonate. Benzenesulfonic acid, 4-methyl-, methyl ester. BENZENESULFONIC ACID. Noname. Butyl benzenesulfonate. Benzenesulfonic acid, 4-methyl-, ethyl ester. Benzenesulfonic acid, sodium salt. Ethanol, 2-chloro-, 4-methylbenzenesulfonate. Benzenesulfonic acid, 4-methyl-, 1-methylethyl ester. 2-Propynyl p-Toluenesulfonate. P-toluenesulfonic acid, 2-fluoroethyl ester. Benzenesulfonic acid, 4-methyl-, butyl ester. Ethylene glycol di-p-toluenesulfonate. Isobutyl 4-methylbenzenesulfonate. P-fluorobenzenesulfonic acid.

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