Chemical Properties of di-p-Tolyl sulfone (CAS 599-66-6)

di-p-Tolyl sulfone

InChI
InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key
WEAYCYAIVOIUMG-UHFFFAOYSA-N
Formula
C14H14O2S
SMILES
Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
Molecular Weight1
246.32
CAS
599-66-6
Other Names
  • 4,4'-Dimethyldiphenylsulfone
  • 4,4'-Ditolyl sulfone
  • Benzene, 1,1'-sulfonylbis(4-methyl-
  • Benzene, 1,1'-sulfonylbis(4-methyl-)
  • Bis(4-methylphenyl) sulfone
  • Bis(p-tolyl) sulfone
  • NSC 208
  • Sulfone, di-p-tolyl
  • di-p-tolyl sulphone
  • p,p'-Ditolyl sulfone
  • p-Tolyl sulfone
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Physical Properties

Property Value Unit Source
ω 0.5815 Relay (1.0) Calculated Property
ΔcH°solid -7800.65 ± 0.50 kJ/mol NIST
ΔfG° -195.98 kJ/mol Joback Calculated Property
ΔfH°gas -202.00 ± 3.00 kJ/mol NIST
ΔfH°solid -311.40 ± 0.80 kJ/mol NIST
ΔfusH° 30.70 kJ/mol Joback Calculated Property
ΔsubH° 110.00 ± 2.00 kJ/mol NIST
ΔvapH° 113.87 kJ/mol Relay (1.0) Calculated Property
IE 8.66 ± 0.04 eV NIST
log10WS -4.43 Relay (1.0) Calculated Property
logPoct/wat 3.136 Crippen Calculated Property
McVol 188.690 ml/mol McGowan Calculated Property
Pc 3173.97 kPa Joback Calculated Property
Tboil 644.83 K Relay (1.0) Calculated Property
Tc 882.30 K Relay (1.0) Calculated Property
Tfus [421.90; 431.15] K Show Hide
Tfus 431.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 421.90 ± 1.50 K NIST
Tfus 429.00 ± 3.00 K NIST
Vc 0.674 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [239.08; 567.70] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.58100e+01
Coefficient B1.09063e+00
Coefficient C-6.00520e-04
Coefficient D9.34000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 239.08 J/mol×K 273.00 Calculated Property
Cp,gas 299.01 J/mol×K 353.78 Calculated Property
Cp,gas 352.39 J/mol×K 434.56 Calculated Property
Cp,gas 399.53 J/mol×K 515.33 Calculated Property
Cp,gas 440.72 J/mol×K 596.11 Calculated Property
Cp,gas 476.25 J/mol×K 676.89 Calculated Property
Cp,gas 506.41 J/mol×K 757.67 Calculated Property
Cp,gas 531.52 J/mol×K 838.44 Calculated Property
Cp,gas 551.85 J/mol×K 919.22 Calculated Property
Cp,gas 567.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, 1-methyl-4-(phenylsulfonyl)-. 4,4'-Ditolyl sulfoxide. Diphenylsulfone, 4-chloro-4'-methyl-. 2-Naphthyl-p-tolyl sulfone. Di-(p-ethylphenyl)sulfone. Benzonitrile, 4,4'-sulfonyldi. 2,4,4'-Trimethyldiphenylsulphone. 2,2',4,4'-Tetramethyldiphenylsulphone. 4,4'-SULFONYLDIBENZOIC ACID. 2,4-DIMETHYLDIPHENYLSULPHONE. 2,4,6-TRIMETHYLDIPHENYLSULPHONE. Benzenesulfonyl chloride, 4-methyl-. Benzoic acid, 4,4'-sulfonylbis-, dimethyl ester. Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-. Benzenesulfonic acid, 4-methyl-.

Find more compounds similar to di-p-Tolyl sulfone.

Sources

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