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
  • Methyl benzenesulfonate
  • 20ND3-5
  • Methyl ester of benzenesulphonic acid
  • methyl benzenesulphonate
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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
log10WS -1.24 Crippen Calculated Property
logPoct/wat 1.022 Crippen Calculated Property
McVol 119.690 ml/mol McGowan Calculated Property
Pc 4952.36 kPa Joback Calculated Property
Tboil 456.44 K Joback Calculated Property
Tc 661.30 K Joback Calculated Property
Tfus 255.86 K Joback Calculated Property
Vc 0.464 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [231.08; 293.46] J/mol×K [456.44; 661.30] Show Hide
Cp,gas 231.08 J/mol×K 456.44 Joback Calculated Property
Cp,gas 242.90 J/mol×K 490.58 Joback Calculated Property
Cp,gas 254.16 J/mol×K 524.73 Joback Calculated Property
Cp,gas 264.85 J/mol×K 558.87 Joback Calculated Property
Cp,gas 274.97 J/mol×K 593.02 Joback Calculated Property
Cp,gas 284.50 J/mol×K 627.16 Joback Calculated Property
Cp,gas 293.46 J/mol×K 661.30 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 423.00 K 2.00 NIST

Similar Compounds

Ethyl benzenesulfonate. Benzenesulfonic acid, sodium salt. Benzenesulfonic acid. Benzenesulfonic acid, 4-methyl-, methyl ester. Benzenesulfinic-acid-. Butyl benzenesulfonate. 2-Propyn-1-ol, 4-methylbenzenesulfonate. Benzenesulfonic acid, 4-methyl-, ethyl ester. naphthalene-2-sulfonic acid. Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate. P-fluorobenzenesulfonic acid. Ethanol, 2-chloro-, 4-methylbenzenesulfonate. Ethylene glycol di-p-toluenesulfonate. P-toluenesulfonic acid, 2-fluoroethyl ester. Benzenesulfonic acid, p-chloro-,sodium salt.

Find more compounds similar to Benzenesulfonic acid, methyl ester.

Sources

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