- InChI
- InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
- InChI Key
- KZTYYGOKRVBIMI-UHFFFAOYSA-N
- Formula
- C12H10O2S
- SMILES
- O=S(=O)(c1ccccc1)c1ccccc1
- Molecular Weight1
- 218.27
- CAS
- 127-63-9
- Other Names
-
- (Phenylsulfonyl)benzene
- Benzene, 1,1'-sulfonylbis-
- DPS
- Difenylsulfon
- Diphenyl sulphone
- NSC 627706
- NSC 6780
- Phenyl sulfone
- Phenyl sulphone
- Sulfobenzide
- Sulfone, diphenyl
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.4839 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6528.50 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -193.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.70 ± 3.30 | kJ/mol | NIST |
| ΔfH°solid | -225.00 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 26.30 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 106.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 104.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.16; 9.70] | eV |
|
| IE | 9.16 | eV | NIST |
| IE | 9.20 | eV | NIST |
| IE | 9.16 ± 0.03 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | 9.46 | eV | NIST |
| IE | 9.37 | eV | NIST |
| log10WS | -3.64 | Aq. Solubility Prediction | |
| logPoct/wat | 2.519 | Crippen Calculated Property | |
| McVol | 160.510 | ml/mol | McGowan Calculated Property |
| Pc | 4146.27 | kPa | Joback Calculated Property |
| Tboil | 619.77 | K | Relay (1.0) Calculated Property |
| Tc | 872.33 | K | Relay (1.0) Calculated Property |
| Tfus | [394.00; 433.50] | K |
|
| Tfus | 401.40 | K | Aq. Solubility Prediction |
| Tfus | 398.20 | K | Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements |
| Tfus | 397.00 ± 2.00 | K | NIST |
| Tfus | Outlier 433.50 ± 1.50 | K | NIST |
| Tfus | 400.00 ± 3.00 | K | NIST |
| Tfus | 397.00 ± 3.00 | K | NIST |
| Tfus | 398.00 ± 2.00 | K | NIST |
| Tfus | 394.00 ± 2.00 | K | NIST |
| Tfus | 401.00 ± 2.00 | K | NIST |
| Tfus | 399.00 ± 3.00 | K | NIST |
| Tfus | 396.00 ± 4.00 | K | NIST |
| Tfus | 397.00 ± 3.00 | K | NIST |
| Tfus | 397.00 ± 3.00 | K | NIST |
| Tfus | 399.00 ± 3.00 | K | NIST |
| Tfus | 399.00 ± 3.00 | K | NIST |
| Tfus | 401.40 ± 1.00 | K | NIST |
| Tfus | 400.35 ± 0.60 | K | NIST |
| Vc | 0.567 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.51; 436.97] | J/mol×K | [575.10; 813.46] |
|
| Cp,gas | 359.51 | J/mol×K | 575.10 | Joback Calculated Property |
| Cp,gas | 375.47 | J/mol×K | 614.83 | Joback Calculated Property |
| Cp,gas | 390.15 | J/mol×K | 654.55 | Joback Calculated Property |
| Cp,gas | 403.60 | J/mol×K | 694.28 | Joback Calculated Property |
| Cp,gas | 415.85 | J/mol×K | 734.01 | Joback Calculated Property |
| Cp,gas | 426.96 | J/mol×K | 773.73 | Joback Calculated Property |
| Cp,gas | 436.97 | J/mol×K | 813.46 | Joback Calculated Property |
| Cp,solid | 244.30 | J/mol×K | 298.50 | NIST |
Similar Compounds
Find more compounds similar to Diphenyl sulfone.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.