- InChI
- InChI=1S/C15H16O2S/c1-11-4-7-14(8-5-11)18(16,17)15-9-6-12(2)13(3)10-15/h4-10H,1-3H3
- InChI Key
- VBDKBFUQKJPPLF-UHFFFAOYSA-N
- Formula
- C15H16O2S
- SMILES
-
Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2
)cc1 - Molecular Weight1
- 260.36
- Other Names
-
- 2,4-dimethyl 4-methylphenyl 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 | 0.6118 | Relay (1.0) Calculated Property | |
| ΔfG° | -197.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.445 | Crippen Calculated Property | |
| McVol | 202.780 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Tboil | 650.81 | K | Relay (1.0) Calculated Property |
| Tc | 898.38 | K | Relay (1.0) Calculated Property |
| Tfus | 380.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.727 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.84; 616.25] | 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 | -2.42000e+00 | |||
| Coefficient B | 1.12615e+00 | |||
| Coefficient C | -5.87880e-04 | |||
| Coefficient D | 8.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 262.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 325.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 382.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 432.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 477.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 515.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 548.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 575.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 598.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 616.25 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,4'-Trimethyldiphenylsulphone.
Sources
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