- InChI
- InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
- InChI Key
- ONMOULMPIIOVTQ-UHFFFAOYSA-N
- Formula
- C6H5NO5S
- SMILES
-
O=[N+]([O-])c1cccc(S(=O)(=O)O)
c1 - Molecular Weight1
- 203.17
- CAS
- 98-47-5
- Other Names
-
- m-Nitrobenzenesulfonic acid
- 3-Nitrobenzenesulfonic acid
- Benzenesulfonic acid, 3-nitro-
- Benzenesulfonic acid, m-nitro-
- Kyselina nitrobenzen-m-sulfonova
- Kyselina 3-nitrobenzensulfonova
- 3-nitrobenzenesulphonic acid
- 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° | -467.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.79 | kJ/mol | Joback Calculated Property |
| log10WS | -1.71 | Crippen Calculated Property | |
| logPoct/wat | 0.842 | Crippen Calculated Property | |
| McVol | 123.020 | ml/mol | McGowan Calculated Property |
| Pc | 6729.65 | kPa | Joback Calculated Property |
| Tboil | 660.14 | K | Joback Calculated Property |
| Tc | 882.84 | K | Joback Calculated Property |
| Tfus | 439.31 | K | Joback Calculated Property |
| Vc | 0.490 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.23; 330.76] | J/mol×K | [660.14; 882.84] | 
|
| Cp,gas | 292.23 | J/mol×K | 660.14 | Joback Calculated Property |
| Cp,gas | 300.37 | J/mol×K | 697.26 | Joback Calculated Property |
| Cp,gas | 307.81 | J/mol×K | 734.37 | Joback Calculated Property |
| Cp,gas | 314.56 | J/mol×K | 771.49 | Joback Calculated Property |
| Cp,gas | 320.63 | J/mol×K | 808.61 | Joback Calculated Property |
| Cp,gas | 326.03 | J/mol×K | 845.73 | Joback Calculated Property |
| Cp,gas | 330.76 | J/mol×K | 882.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Nitrobenzensulfonic acid.
Sources
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