Chemical Properties of Benzene, [(methylsulfonyl)methyl]- (CAS 3112-90-1)

Benzene, [(methylsulfonyl)methyl]-

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InChI
InChI=1S/C8H10O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key
BEARMXYKACECDH-UHFFFAOYSA-N
Formula
C8H10O2S
SMILES
CS(=O)(=O)Cc1ccccc1
Molecular Weight1
170.23
CAS
3112-90-1
Other Names
  • Benzyl methyl sulfone
  • Methyl benzyl sulfone
  • Sulfone, benzyl methyl
  • «alpha»-(methylsulphonyl)toluene
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4808.30 ± 3.00 kJ/mol NIST
Δf -339.65 kJ/mol Joback Calculated Property
Δfgas -272.00 ± 4.00 kJ/mol NIST
Δfgas -285.00 ± 4.20 kJ/mol NIST
Δfsolid -371.00 ± 2.00 kJ/mol NIST
Δfsolid -374.00 ± 1.00 kJ/mol NIST
Δfus 21.89 kJ/mol Joback Calculated Property
Δsub 99.00 ± 3.00 kJ/mol NIST
Δvap 54.31 kJ/mol Joback Calculated Property
logPoct/wat 1.23 Crippen Calculated Property
Pc 4444.44 kPa Joback Calculated Property
Tboil 456.90 K Joback Calculated Property
Tc 660.54 K Joback Calculated Property
Tfus 400.50 ± 0.60 K NIST
Tfus 400.50 ± 0.50 K NIST
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 248.95 J/mol×K 456.9 Joback Calculated Property
ΔfusH 25.52 kJ/mol 400.5 NIST
ΔfusH 25.52 kJ/mol 400.5 NIST
ΔvapH 64.90 kJ/mol 492.0 NIST

Molecular Descriptors

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

Similar Compounds

Benzyl sulfone. Benzene, [(methylsulfinyl)methyl]-. Benzene, 1,1'-[sulfinylbis(methylene)]bis-. Benzyl 2-chloroethyl sulfone. Benzyl methyl sulfide. Thiocyanic acid benzyl ester. Toluenesulfonamide, alpha-. Benzenemethanesulfonyl chloride. Benzene, 1,1'-[thiobis(methylene)]bis-. Benzene, [(ethylthio)methyl]-. Benzene, 1,4-bis(methylthiomethyl)-. isopropyl benzyl sulfide. (Z)-1,2-Bis(benzylthio)-ethylene. trans-1,2-Bis(benzylthio)-ethylene. 2-Chloroethyl benzyl sulfide.

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