Chemical Properties of Ethyl benzenesulfonate (CAS 515-46-8)

Ethyl benzenesulfonate

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InChI
InChI=1S/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key
XDRMBCMMABGNMM-UHFFFAOYSA-N
Formula
C8H10O3S
SMILES
CCOS(=O)(=O)c1ccccc1
Molecular Weight1
186.23
CAS
515-46-8
Other Names
  • Benzenesulfonic acid ethyl ester
  • Ethyl benzensulfonate
  • ethyl benzenesulphonate
Sources

Physical Properties

Property Value Unit Source
Δf -444.65 kJ/mol Joback Calculated Property
Δfgas -557.49 kJ/mol Joback Calculated Property
Δfus 23.08 kJ/mol Joback Calculated Property
Δvap 56.72 kJ/mol Joback Calculated Property
logPoct/wat 1.412 Crippen Calculated Property
Pc 4345.39 kPa Joback Calculated Property
Tboil 429.00 K NIST
Tc 681.53 K Joback Calculated Property
Tfus 267.13 K Joback Calculated Property
Vc 0.519 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 272.51 J/mol×K 479.32 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 5
-CH2- 1
=C< (ring) 1
-S- 1
=O 2
-CH3 1

Similar Compounds

Benzenesulfonic acid, methyl ester. Butyl benzenesulfonate. Benzenesulfonic acid, 4-methyl-, ethyl ester. Benzenesulfonic acid, 4-methyl-, 1-methylethyl ester. Ethanol, 2-chloro-, 4-methylbenzenesulfonate. 2-Propynyl p-Toluenesulfonate. P-toluenesulfonic acid, 2-fluoroethyl ester. Benzenesulfonic acid, 4-methyl-, methyl ester. Benzenesulfonic acid, 4-methyl-, butyl ester. Ethylene glycol di-p-toluenesulfonate. Isobutyl 4-methylbenzenesulfonate. Gamma-chloro-n-propyl-p-toluene sulfonate. Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate. Hydroxyacetone p-Toluenesulfonate. BENZENESULFONIC ACID.

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