- InChI
- InChI=1S/C6H4N2O7S/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)
- InChI Key
- OVOJUAKDTOOXRF-UHFFFAOYSA-N
- Formula
- C6H4N2O7S
- SMILES
-
O=[N+]([O-])c1ccc(S(=O)(=O)O)c
([N+](=O)[O-])c1 - Molecular Weight1
- 248.17
- CAS
- 89-02-1
- Other Names
-
- 2,4-Dinitrobenzenesulfonic acid
- Kyselina 2,4-dinitrobenzensulfonova
- 2,4-Dinitrobenzenesulphonic acid
- 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 | 0.9226 | Relay (1.0) Calculated Property | |
| ΔfG° | -441.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.750 | Crippen Calculated Property | |
| McVol | 140.440 | ml/mol | McGowan Calculated Property |
| Pc | 6696.65 | kPa | Joback Calculated Property |
| Tboil | 585.48 | K | Relay (1.0) Calculated Property |
| Tc | 936.56 | K | Relay (1.0) Calculated Property |
| Tfus | 445.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.89; 387.63] | J/mol×K | [816.96; 1059.01] | 
|
| Cp,gas | 363.89 | J/mol×K | 816.96 | Joback Calculated Property |
| Cp,gas | 369.97 | J/mol×K | 857.30 | Joback Calculated Property |
| Cp,gas | 375.19 | J/mol×K | 897.64 | Joback Calculated Property |
| Cp,gas | 379.56 | J/mol×K | 937.99 | Joback Calculated Property |
| Cp,gas | 383.08 | J/mol×K | 978.33 | Joback Calculated Property |
| Cp,gas | 385.77 | J/mol×K | 1018.67 | Joback Calculated Property |
| Cp,gas | 387.63 | J/mol×K | 1059.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonic acid, 2,4-dinitro-.
Sources
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