Chemical Properties of Diphenyl sulfone (CAS 127-63-9)

Diphenyl sulfone

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InChI
InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChI Key
KZTYYGOKRVBIMI-UHFFFAOYSA-N
Formula
C12H10O2S
SMILES
O=S(=O)(c1ccccc1)c1ccccc1
Molecular Weight1
218.27
CAS
127-63-9
Other Names
  • (Phenylsulfonyl)benzene
  • Benzene, 1,1'-sulfonylbis-
  • DPS
  • Difenylsulfon
  • Diphenyl sulphone
  • NSC 627706
  • NSC 6780
  • Phenyl sulfone
  • Phenyl sulphone
  • Sulfobenzide
  • Sulfone, diphenyl
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6528.50 ± 1.50 kJ/mol NIST
Δf -193.56 kJ/mol Joback Calculated Property
Δfgas -118.70 ± 3.30 kJ/mol NIST
Δfsolid -225.00 ± 1.60 kJ/mol NIST
Δfus 26.30 kJ/mol Joback Calculated Property
Δsub 106.00 ± 2.00 kJ/mol NIST
Δvap 65.49 kJ/mol Joback Calculated Property
IE [9.16; 9.70] eV Show Hide
IE 9.16 eV NIST
IE 9.20 eV NIST
IE 9.16 ± 0.03 eV NIST
IE 9.70 eV NIST
IE 9.46 eV NIST
IE 9.37 eV NIST
logPoct/wat 2.519 Crippen Calculated Property
Pc 4146.27 kPa Joback Calculated Property
Tboil 575.10 K Joback Calculated Property
Tc 813.46 K Joback Calculated Property
Tfus [394.00; 433.50] K Show Hide
Tfus 397.00 ± 2.00 K NIST
Tfus Outlier 433.50 ± 1.50 K NIST
Tfus 400.00 ± 3.00 K NIST
Tfus 397.00 ± 3.00 K NIST
Tfus 398.00 ± 2.00 K NIST
Tfus 394.00 ± 2.00 K NIST
Tfus 401.00 ± 2.00 K NIST
Tfus 399.00 ± 3.00 K NIST
Tfus 396.00 ± 4.00 K NIST
Tfus 397.00 ± 3.00 K NIST
Tfus 397.00 ± 3.00 K NIST
Tfus 399.00 ± 3.00 K NIST
Tfus 399.00 ± 3.00 K NIST
Tfus 401.40 ± 1.00 K NIST
Tfus 400.35 ± 0.60 K NIST
Vc 0.618 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 359.51 J/mol×K 575.1 Joback Calculated Property
Cp,solid 244.30 J/mol×K 298.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-S- 1
=O 2
=CH- (ring) 10

Similar Compounds

Benzene, 1-fluoro-4-(phenylsulfonyl)-. Dapsone. Diphenyl sulfoxide. 4-Bromophenyl sulfone. Benzene, 1-methyl-4-(phenylsulfonyl)-. Benzene, 1,1'-sulfonylbis(4-methyl-). Di-(p-ethylphenyl)sulfone. Benzonitrile, 4,4'-sulfonyldi. Diphenylsulfone, 4-chloro-4'-methyl-. 4,4'-Ditolyl sulfoxide. p,p'-Diaminodiphenyl sulfoxide. Bis(p-chlorophenyl)sulfoxide. P,p'-sulfonyl dibenzoic acid. 4-Nitrodiphenylsulfone. 2,4,4'-Trimethyldiphenylsulphone.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.