- InChI
- InChI=1S/C18H22O2S/c1-11-7-13(3)17(14(4)8-11)21(19,20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
- InChI Key
- QKCBXXUTOURERT-UHFFFAOYSA-N
- Formula
- C18H22O2S
- SMILES
-
Cc1cc(C)c(S(=O)(=O)c2c(C)cc(C)
cc2C)c(C)c1 - Molecular Weight1
- 302.43
- CAS
- 3112-79-6
- Other Names
-
- Benzene, 1,1'-sulfonylbis(2,4,6-trimethyl-
- Bis(2,4,6-trimethylphenyl) sulfone
- Mesityl sulfone
- 1,1'-Sulfonylbis(2,4,6-trimethylbenzene)
- 2,2',4,4',6,6'-Hexamethyldiphenyl sulfone
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7153 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.370 | Crippen Calculated Property | |
| McVol | 245.050 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Tboil | 662.65 | K | Relay (1.0) Calculated Property |
| Tc | 936.85 | K | Relay (1.0) Calculated Property |
| Tfus | 474.00 ± 3.00 | K | NIST |
| Vc | 0.880 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.13; 761.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.77500e+01 | |||
| Coefficient B | 1.23271e+00 | |||
| Coefficient C | -5.49960e-04 | |||
| Coefficient D | 4.14000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 406.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 472.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 532.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 585.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 633.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 674.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 709.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 738.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 761.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Diphenylsulfone, 2,2',4,4',6,6'-hexamethyl-.
Sources
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