- InChI
- InChI=1S/C12H9NO4S/c14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-9H
- InChI Key
- OECHJYYZMSUILG-UHFFFAOYSA-N
- Formula
- C12H9NO4S
- SMILES
-
O=[N+]([O-])c1ccc(S(=O)(=O)c2c
cccc2)cc1 - Molecular Weight1
- 263.27
- CAS
- 1146-39-0
- Other Names
-
- 4-Nitrophenyl phenyl sulfone
- Benzene, 1-nitro-4-(phenylsulfonyl)-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -167.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 2.428 | Crippen Calculated Property | |
| McVol | 177.930 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Tboil | 731.92 | K | Joback Calculated Property |
| Tc | 992.42 | K | Joback Calculated Property |
| Tfus | 472.53 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.12; 512.80] | J/mol×K | [731.92; 992.42] | 
|
| Cp,gas | 456.12 | J/mol×K | 731.92 | Joback Calculated Property |
| Cp,gas | 468.88 | J/mol×K | 775.34 | Joback Calculated Property |
| Cp,gas | 480.24 | J/mol×K | 818.75 | Joback Calculated Property |
| Cp,gas | 490.25 | J/mol×K | 862.17 | Joback Calculated Property |
| Cp,gas | 498.98 | J/mol×K | 905.59 | Joback Calculated Property |
| Cp,gas | 506.48 | J/mol×K | 949.01 | Joback Calculated Property |
| Cp,gas | 512.80 | J/mol×K | 992.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrodiphenylsulfone.
Sources
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