- InChI
- InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
- InChI Key
- LTYMSROWYAPPGB-UHFFFAOYSA-N
- Formula
- C12H10S
- SMILES
- c1ccc(Sc2ccccc2)cc1
- Molecular Weight1
- 186.27
- CAS
- 139-66-2
- Other Names
-
- 1,1'-Thiobis(benzene)
- Benzene, 1,1'-thiobis-
- Diphenyl monosulfide
- Diphenyl sulphide
- Diphenyl thioether
- Diphenylmercaptan
- Diphenylthiamethane
- NSC 4568
- Phenyl sulfide
- Phenylthiobenzene
- Sulfide, diphenyl
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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°liquid | -6916.90 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 308.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 232.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | 163.80 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 19.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [68.00; 68.20] | kJ/mol |
|
| ΔvapH° | 68.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 68.20 | kJ/mol | NIST |
| IE | [7.80; 9.90] | eV |
|
| IE | 7.85 ± 0.04 | eV | NIST |
| IE | 7.92 ± 0.01 | eV | NIST |
| IE | 7.80 | eV | NIST |
| IE | 8.04 | eV | NIST |
| IE | 8.50 ± 0.10 | eV | NIST |
| IE | 7.81 ± 0.03 | eV | NIST |
| IE | 7.88 ± 0.05 | eV | NIST |
| IE | 7.88 | eV | NIST |
| IE | Outlier 9.90 ± 0.30 | eV | NIST |
| IE | 7.88 | eV | NIST |
| IE | 7.86 | eV | NIST |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.838 | Crippen Calculated Property | |
| McVol | 148.770 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| Inp | [1552.00; 1565.00] |
|
|
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1552.00 | NIST | |
| I | 2287.00 | NIST | |
| Tboil | [569.20; 569.65] | K |
|
| Tboil | 569.20 | K | NIST |
| Tboil | 569.65 ± 0.50 | K | NIST |
| Tc | 867.43 | K | Joback Calculated Property |
| Tfus | [247.25; 438.00] | K |
|
| Tfus | 399.40 ± 8.00 | K | NIST |
| Tfus | 409.00 ± 4.00 | K | NIST |
| Tfus | 438.00 ± 10.00 | K | NIST |
| Tfus | 247.25 ± 0.50 | K | NIST |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.62; 405.37] | J/mol×K | [596.10; 867.43] |
|
| Cp,gas | 329.62 | J/mol×K | 596.10 | Joback Calculated Property |
| Cp,gas | 345.57 | J/mol×K | 641.32 | Joback Calculated Property |
| Cp,gas | 360.07 | J/mol×K | 686.54 | Joback Calculated Property |
| Cp,gas | 373.22 | J/mol×K | 731.76 | Joback Calculated Property |
| Cp,gas | 385.09 | J/mol×K | 776.98 | Joback Calculated Property |
| Cp,gas | 395.78 | J/mol×K | 822.20 | Joback Calculated Property |
| Cp,gas | 405.37 | J/mol×K | 867.43 | Joback Calculated Property |
| Cp,liquid | 271.10 | J/mol×K | 298.50 | NIST |
| ΔfusH | [13.98; 13.98] | kJ/mol | [222.50; 258.00] |
|
| ΔfusH | 13.98 | kJ/mol | 222.50 | NIST |
| ΔfusH | 13.98 | kJ/mol | 258.00 | NIST |
| ΔvapH | [52.00; 67.30] | kJ/mol | [467.50; 478.00] |
|
| ΔvapH | 60.50 | kJ/mol | 467.50 | NIST |
| ΔvapH | 58.20 | kJ/mol | 467.50 | NIST |
| ΔvapH | 64.30 ± 0.30 | kJ/mol | 478.00 | NIST |
| ΔvapH | 61.30 ± 0.30 | kJ/mol | 478.00 | NIST |
| ΔvapH | 58.30 ± 0.30 | kJ/mol | 478.00 | NIST |
| ΔvapH | 55.30 ± 0.30 | kJ/mol | 478.00 | NIST |
| ΔvapH | 52.00 ± 0.30 | kJ/mol | 478.00 | NIST |
| ΔvapH | 67.30 ± 0.30 | kJ/mol | 478.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [417.79; 604.89] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59414e+01 | |||
| Coefficient B | -6.19684e+03 | |||
| Coefficient C | -2.19240e+01 | |||
| Temperature range, min. | 417.79 | |||
| Temperature range, max. | 604.89 | |||
| Pvap | 1.33 | kPa | 417.79 | Calculated Property |
| Pvap | 2.91 | kPa | 438.58 | Calculated Property |
| Pvap | 5.90 | kPa | 459.37 | Calculated Property |
| Pvap | 11.22 | kPa | 480.16 | Calculated Property |
| Pvap | 20.19 | kPa | 500.95 | Calculated Property |
| Pvap | 34.57 | kPa | 521.73 | Calculated Property |
| Pvap | 56.72 | kPa | 542.52 | Calculated Property |
| Pvap | 89.59 | kPa | 563.31 | Calculated Property |
| Pvap | 136.79 | kPa | 584.10 | Calculated Property |
| Pvap | 202.66 | kPa | 604.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Diphenyl sulfide.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.