- InChI
- InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)
- InChI Key
- LWFUFLREGJMOIZ-UHFFFAOYSA-N
- Formula
- C7H4N2O7
- SMILES
-
O=C(O)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1O - Molecular Weight1
- 228.12
- CAS
- 609-99-4
- Other Names
-
- Salicylic acid, 3,5-dinitro-
- 2-Hydroxy-3,5-dinitrobenzoic acid
- 3,5-Dinitro-2-hydroxybenzoic acid
- 3,5-Dinitrosalicylic 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° | -248.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 0.907 | Crippen Calculated Property | |
| McVol | 133.880 | ml/mol | McGowan Calculated Property |
| Pc | 6288.83 | kPa | Joback Calculated Property |
| Tboil | 926.55 | K | Joback Calculated Property |
| Tc | 1184.19 | K | Joback Calculated Property |
| Tfus | 729.80 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.27; 404.35] | J/mol×K | [926.55; 1184.19] | 
|
| Cp,gas | 368.27 | J/mol×K | 926.55 | Joback Calculated Property |
| Cp,gas | 374.26 | J/mol×K | 969.49 | Joback Calculated Property |
| Cp,gas | 380.12 | J/mol×K | 1012.43 | Joback Calculated Property |
| Cp,gas | 385.95 | J/mol×K | 1055.37 | Joback Calculated Property |
| Cp,gas | 391.87 | J/mol×K | 1098.31 | Joback Calculated Property |
| Cp,gas | 397.97 | J/mol×K | 1141.25 | Joback Calculated Property |
| Cp,gas | 404.35 | J/mol×K | 1184.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-3,5-dinitro-.
Sources
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