- InChI
- InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H
- InChI Key
- BBFRYSKTTHYWQZ-UHFFFAOYSA-N
- Formula
- C18H15N3O4S
- SMILES
-
O=[N+]([O-])c1cc(S(=O)(=O)Nc2c
cccc2)ccc1Nc1ccccc1 - Molecular Weight1
- 369.39
- CAS
- 5124-25-4
- Other Names
-
- 4-anilino-3-nitro-N-phenylbenzenesulphonamide
- Benzenesulfonamide, 3-nitro-N-phenyl-4-(phenylamino)-
- 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 | 0.8778 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -16.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.139 | Crippen Calculated Property | |
| McVol | 258.670 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Tboil | 737.92 | K | Relay (1.0) Calculated Property |
| Tc | 1179.10 | K | Relay (1.0) Calculated Property |
| Tfus | 470.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [775.81; 808.26] | J/mol×K | [1001.20; 1266.03] | 
|
| Cp,gas | 775.81 | J/mol×K | 1001.20 | Joback Calculated Property |
| Cp,gas | 784.51 | J/mol×K | 1045.34 | Joback Calculated Property |
| Cp,gas | 791.75 | J/mol×K | 1089.48 | Joback Calculated Property |
| Cp,gas | 797.64 | J/mol×K | 1133.61 | Joback Calculated Property |
| Cp,gas | 802.29 | J/mol×K | 1177.75 | Joback Calculated Property |
| Cp,gas | 805.79 | J/mol×K | 1221.89 | Joback Calculated Property |
| Cp,gas | 808.26 | J/mol×K | 1266.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfanilanilide, 3-nitro-4-n-phenyl-.
Sources
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