Chemical Properties of Dibenzothiophene sulfone (CAS 1016-05-3)

Dibenzothiophene sulfone

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InChI
InChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
InChI Key
IKJFYINYNJYDTA-UHFFFAOYSA-N
Formula
C12H8O2S
SMILES
O=S1(=O)c2ccccc2-c2ccccc21
Molecular Weight1
216.26
CAS
1016-05-3
Other Names
  • Dibenzothiophene S,S-dioxide
  • Dibenzothiophene dioxide
  • Dibenzothiophene, 5,5-dioxide
  • Diphenylene sulfone
Sources

Physical Properties

Property Value Unit Source
Δf -113.42 kJ/mol Joback Calculated Property
Δfgas -185.39 kJ/mol Joback Calculated Property
Δfus 26.31 kJ/mol Joback Calculated Property
Δvap 65.69 kJ/mol Joback Calculated Property
IE 8.90 eV NIST
IE 9.28 eV NIST
IE 8.90 eV NIST
logPoct/wat 2.50 Crippen Calculated Property
Pc 4486.22 kPa Joback Calculated Property
Tboil 566.98 K Joback Calculated Property
Tc 800.33 K Joback Calculated Property
Tfus 419.71 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 333.75 J/mol×K 566.98 Joback Calculated Property
ΔfusH 27.17 kJ/mol 509.2 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
=O 2
-S- (ring) 1
=CH- (ring) 8

Similar Compounds

Dibenzothiophene, 5-oxide. 3-Azulenesulfonic acid, 1,4-dimethyl-7-isopropyl-, sodium salt, hydrate. 4-Nitrodiphenylsulfone. Diphenylsulfone, 2,2',4,4',6,6'-hexamethyl-. Diphenylsulfone, 4-chloro-4'-methyl-. 2,4,6-Trimethyldiphenylsulphone. 2-Chloro-10-(3'-dimethylaminopropyl)-5,5-phenothiazinedioxide, hydrochloride, monohydrate. Benzene, 1-methyl-4-(phenylsulfonyl)-. Benzene, 1,1'-sulfonylbis(4-methyl-). Aniline, 4-(n,n-dimethylamino)-2-(p-tolylsulfonyl)-. Di-(p-ethylphenyl)sulfone. Thioxanthene-3,7-diamine, 10,10-dioxide. 4-Bromophenyl sulfone. Oxomemazine. Benzene, 1-fluoro-4-(phenylsulfonyl)-.

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