- InChI
- InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
- InChI Key
- TXTQURPQLVHJRE-UHFFFAOYSA-N
- Formula
- C6H6N2O4S
- SMILES
-
NS(=O)(=O)c1cccc([N+](=O)[O-])
c1 - Molecular Weight1
- 202.19
- CAS
- 121-52-8
- Other Names
-
- 3-Nitrobenzolesulfamide
- Benzenesulfonamide, m-nitro-
- benzenesulfonamide, 3-nitro-
- m-Nitrobenzenesulfonamide
- m-nitrobenzenesulphonamide
- 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 | 0.6659 | Relay (1.0) Calculated Property | |
| ΔfG° | -264.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.47 | kJ/mol | Determination of the energies of combustion and enthalpies of formation of nitrobenzenesulfonamides by rotating-bomb combustion calorimetry |
| ΔvapH° | 89.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.242 | Crippen Calculated Property | |
| McVol | 127.130 | ml/mol | McGowan Calculated Property |
| Pc | 6359.24 | kPa | Joback Calculated Property |
| Tboil | 578.61 | K | Relay (1.0) Calculated Property |
| Tc | 868.49 | K | Relay (1.0) Calculated Property |
| Tfus | 435.65 ± 1.50 | K | NIST |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.69; 348.26] | J/mol×K | [640.49; 890.70] | 
|
| Cp,gas | 301.69 | J/mol×K | 640.49 | Joback Calculated Property |
| Cp,gas | 311.72 | J/mol×K | 682.19 | Joback Calculated Property |
| Cp,gas | 320.82 | J/mol×K | 723.89 | Joback Calculated Property |
| Cp,gas | 329.01 | J/mol×K | 765.59 | Joback Calculated Property |
| Cp,gas | 336.31 | J/mol×K | 807.30 | Joback Calculated Property |
| Cp,gas | 342.72 | J/mol×K | 849.00 | Joback Calculated Property |
| Cp,gas | 348.26 | J/mol×K | 890.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitrobenzenesulfonamide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Determination of the energies of combustion and enthalpies of formation of nitrobenzenesulfonamides by rotating-bomb combustion calorimetry
- Joback Method
- McGowan Method
- NIST Webbook
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