Chemical Properties of 2,6-Diphenyltetrahydrothiopyran-4-one s,s-dioxide

2,6-Diphenyltetrahydrothiopyran-4-one s,s-dioxide

InChI
InChI=1S/C17H16O3S/c18-15-11-16(13-7-3-1-4-8-13)21(19,20)17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
InChI Key
UEPWZKMHEHTBRW-UHFFFAOYSA-N
Formula
C17H16O3S
SMILES
O=C1CC(c2ccccc2)S(=O)(=O)C(c2ccccc2)C1
Molecular Weight1
300.38
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Physical Properties

Property Value Unit Source
ΔcH°solid -9157.00 ± 12.00 kJ/mol NIST
ΔfH°gas -268.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.19 kJ/mol Joback Calculated Property
ΔvapH° 122.63 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.247 Crippen Calculated Property
McVol 221.670 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [633.99; 721.09] J/mol×K [751.45; 1009.12] Show Hide
Cp,gas 633.99 J/mol×K 751.45 Joback Calculated Property
Cp,gas 653.34 J/mol×K 794.39 Joback Calculated Property
Cp,gas 670.71 J/mol×K 837.34 Joback Calculated Property
Cp,gas 686.13 J/mol×K 880.28 Joback Calculated Property
Cp,gas 699.64 J/mol×K 923.23 Joback Calculated Property
Cp,gas 711.28 J/mol×K 966.17 Joback Calculated Property
Cp,gas 721.09 J/mol×K 1009.12 Joback Calculated Property

Similar Compounds

naringin. Moexipril Me. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. azadirachtin. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Moexipril desethyl 3Me (Moexprilate 3Me). Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Doronenine. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Codeine.

Find more compounds similar to 2,6-Diphenyltetrahydrothiopyran-4-one s,s-dioxide.

Sources

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