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
  • «alpha»-(methylsulphonyl)toluene
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Physical Properties

Property Value Unit Source
Δcsolid -4808.30 ± 3.00 kJ/mol NIST
Δf -339.65 kJ/mol Joback Calculated Property
Δfgas [-285.00; -272.00] kJ/mol Show Hide
Δfgas -272.00 ± 4.00 kJ/mol NIST
Δfgas -285.00 ± 4.20 kJ/mol NIST
Δfsolid [-374.00; -371.00] kJ/mol Show Hide
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
log10WS -1.60 Crippen Calculated Property
logPoct/wat 1.231 Crippen Calculated Property
McVol 127.910 ml/mol McGowan 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; 400.50] K Show Hide
Tfus 400.50 ± 0.60 K NIST
Tfus 400.50 ± 0.50 K NIST
Vc 0.501 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [248.95; 318.41] J/mol×K [456.90; 660.54] Show Hide
Cp,gas 248.95 J/mol×K 456.90 Joback Calculated Property
Cp,gas 262.27 J/mol×K 490.84 Joback Calculated Property
Cp,gas 274.88 J/mol×K 524.78 Joback Calculated Property
Cp,gas 286.79 J/mol×K 558.72 Joback Calculated Property
Cp,gas 298.00 J/mol×K 592.66 Joback Calculated Property
Cp,gas 308.54 J/mol×K 626.60 Joback Calculated Property
Cp,gas 318.41 J/mol×K 660.54 Joback Calculated Property
ΔfusH [25.52; 25.52] kJ/mol [400.50; 400.50] Show Hide
ΔfusH 25.52 kJ/mol 400.50 NIST
ΔfusH 25.52 kJ/mol 400.50 NIST
ΔvapH 64.90 kJ/mol 492.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [454.69; 642.64] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.74651e+01
Coefficient B-7.81037e+03
Temperature range, min.454.69
Temperature range, max.642.64
Pvap 1.33 kPa 454.69 Calculated Property
Pvap 2.84 kPa 475.57 Calculated Property
Pvap 5.66 kPa 496.46 Calculated Property
Pvap 10.68 kPa 517.34 Calculated Property
Pvap 19.18 kPa 538.22 Calculated Property
Pvap 32.97 kPa 559.11 Calculated Property
Pvap 54.53 kPa 579.99 Calculated Property
Pvap 87.07 kPa 600.87 Calculated Property
Pvap 134.74 kPa 621.76 Calculated Property
Pvap 202.66 kPa 642.64 Calculated Property

Similar Compounds

Benzene, [(methylsulfinyl)methyl]-. Benzyl sulfone. Benzene, 1,1'-[sulfinylbis(methylene)]bis-. Benzene, 1,1'-[sulfonylbis(methylene)]bis[4-chloro-. Benzyl methyl sulfide. Benzyl sulfide. Benzyl 2-chloroethyl sulfone. Benzenemethanesulfonyl chloride. Thiocyanic acid, phenylmethyl ester. Benzene, 1,4-bis(methylthiomethyl)-. Benzene, [(ethylthio)methyl]-. Benzo[c]thiophene, 1,3-dihydro-. 2-Chloroethyl benzyl sulfide. isopropyl benzyl sulfide. trans-1,2-Bis(benzylthio)-ethylene.

Find more compounds similar to Benzene, [(methylsulfonyl)methyl]-.

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