- InChI
- InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
- InChI Key
- JJHHIJFTHRNPIK-UHFFFAOYSA-N
- Formula
- C12H10OS
- SMILES
- O=S(c1ccccc1)c1ccccc1
- Molecular Weight1
- 202.27
- CAS
- 945-51-7
- Other Names
-
- Benzene, 1,1'-sulfinylbis-
- Phenyl sulfoxide
- Phenylsulfinylbenzene
- Sulfoxide, diphenyl
- Diphenyl sulphoxide
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ΔcH°solid | -6763.40 ± 0.40 | kJ/mol | NIST |
| ΔfG° | 57.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | 10.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 22.67 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 97.00 ± 3.00 | kJ/mol | NIST |
| ΔvapH° | 59.58 | kJ/mol | Joback Calculated Property |
| IE | [8.30; 9.02] | eV |
|
| IE | 8.30 | eV | NIST |
| IE | 9.02 ± 0.05 | eV | NIST |
| IE | 9.02 | eV | NIST |
| IE | 8.58 | eV | NIST |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.853 | Crippen Calculated Property | |
| McVol | 154.640 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 585.60 | K | Joback Calculated Property |
| Tc | 839.81 | K | Joback Calculated Property |
| Tfus | [342.15; 344.00] | K |
|
| Tfus | 344.00 ± 3.00 | K | NIST |
| Tfus | 343.00 ± 3.00 | K | NIST |
| Tfus | 342.15 ± 1.50 | K | NIST |
| Tfus | 342.55 ± 0.60 | K | NIST |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.78; 421.33] | J/mol×K | [585.60; 839.81] |
|
| Cp,gas | 344.78 | J/mol×K | 585.60 | Joback Calculated Property |
| Cp,gas | 360.74 | J/mol×K | 627.97 | Joback Calculated Property |
| Cp,gas | 375.34 | J/mol×K | 670.34 | Joback Calculated Property |
| Cp,gas | 388.63 | J/mol×K | 712.71 | Joback Calculated Property |
| Cp,gas | 400.69 | J/mol×K | 755.08 | Joback Calculated Property |
| Cp,gas | 411.57 | J/mol×K | 797.44 | Joback Calculated Property |
| Cp,gas | 421.33 | J/mol×K | 839.81 | Joback Calculated Property |
| Cp,solid | 239.70 | J/mol×K | 298.50 | NIST |
Similar Compounds
Find more compounds similar to Diphenyl sulfoxide.
Sources
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