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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [272.17; 719.16] 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-6.81500e+01
Coefficient B1.44191e+00
Coefficient C-7.38300e-04
Coefficient D8.37000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 272.17 J/mol×K 273.00 Calculated Property
Cp,gas 353.27 J/mol×K 353.78 Calculated Property
Cp,gas 425.89 J/mol×K 434.56 Calculated Property
Cp,gas 490.30 J/mol×K 515.33 Calculated Property
Cp,gas 546.76 J/mol×K 596.11 Calculated Property
Cp,gas 595.55 J/mol×K 676.89 Calculated Property
Cp,gas 636.91 J/mol×K 757.67 Calculated Property
Cp,gas 671.13 J/mol×K 838.44 Calculated Property
Cp,gas 698.46 J/mol×K 919.22 Calculated Property
Cp,gas 719.16 J/mol×K 1000.00 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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