- InChI
- InChI=1S/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
- InChI Key
- MJWNJEJCQHNDNM-UHFFFAOYSA-N
- Formula
- C14H14OS
- SMILES
- Cc1ccc(S(=O)c2ccc(C)cc2)cc1
- Molecular Weight1
- 230.32
- CAS
- 1774-35-2
- Other Names
-
- Di-p-tolyl sulfoxide
- p-Tolyl sulfoxide
- Benzene, 1,1'-sulfinylbis[4-methyl-
- p-Toluene, 1,1'-sulfinylbis-
- Ditolyl sulfoxide
- Sulfoxide, ditolyl
- Toluene, 4,4'-sulfinylbis-
- Ditolyl sulphoxide
- Bis(p-methylphenyl) sulfoxide
- NSC 73128
- bis(p-tolyl)sulphoxide
- 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 | 0.5071 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.470 | Crippen Calculated Property | |
| McVol | 182.820 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 638.17 | K | Relay (1.0) Calculated Property |
| Tc | 877.89 | K | Relay (1.0) Calculated Property |
| Tfus | 375.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.32; 546.38] | 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 | -2.26300e+01 | |||
| Coefficient B | 1.07103e+00 | |||
| Coefficient C | -6.13220e-04 | |||
| Coefficient D | 1.11200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 284.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 336.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 381.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 421.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 455.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 485.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 509.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 530.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 546.38 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Ditolyl sulfoxide.
Sources
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