- InChI
- InChI=1S/C7H5NO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)
- InChI Key
- QRYSWXFQLFLJTC-UHFFFAOYSA-N
- Formula
- C7H5NO5
- SMILES
-
O=C(O)c1ccc(O)c([N+](=O)[O-])c
1 - Molecular Weight1
- 183.12
- CAS
- 616-82-0
- Other Names
-
- 3-Nitro-4-hydroxybenzoic acid
- 3,4-Nitrohydroxybenzoic acid
- Benzoic acid, 4-hydroxy-3-nitro-
- 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° | -273.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.14 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 0.999 | Crippen Calculated Property | |
| McVol | 116.460 | ml/mol | McGowan Calculated Property |
| Pc | 6318.86 | kPa | Joback Calculated Property |
| Tboil | 769.73 | K | Joback Calculated Property |
| Tc | 1010.82 | K | Joback Calculated Property |
| Tfus | 573.67 | K | Joback Calculated Property |
| Vc | 0.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.18; 336.69] | J/mol×K | [769.73; 1010.82] | 
|
| Cp,gas | 302.18 | J/mol×K | 769.73 | Joback Calculated Property |
| Cp,gas | 308.59 | J/mol×K | 809.91 | Joback Calculated Property |
| Cp,gas | 314.62 | J/mol×K | 850.09 | Joback Calculated Property |
| Cp,gas | 320.35 | J/mol×K | 890.28 | Joback Calculated Property |
| Cp,gas | 325.89 | J/mol×K | 930.46 | Joback Calculated Property |
| Cp,gas | 331.30 | J/mol×K | 970.64 | Joback Calculated Property |
| Cp,gas | 336.69 | J/mol×K | 1010.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-3-nitrobenzoic acid.
Sources
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