- InChI
- InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
- InChI Key
- ZLCPKMIJYMHZMJ-UHFFFAOYSA-N
- Formula
- C6H5NO4
- SMILES
- O=[N+]([O-])c1c(O)cccc1O
- Molecular Weight1
- 155.11
- CAS
- 601-89-8
- Other Names
-
- 2-Nitroresorcinol
- Resorcinol, 2-nitro-
- 1,3-Dihydroxy-2-nitrobenzene
- 2-Nitro-1,3-dihydroxybenzene
- 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° | -161.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.84 | kJ/mol | Joback Calculated Property |
| log10WS | -1.22 | Crippen Calculated Property | |
| logPoct/wat | 1.006 | Crippen Calculated Property | |
| McVol | 100.800 | ml/mol | McGowan Calculated Property |
| Pc | 7522.14 | kPa | Joback Calculated Property |
| Tboil | 676.44 | K | Joback Calculated Property |
| Tc | 949.68 | K | Joback Calculated Property |
| Tfus | 550.85 | K | Joback Calculated Property |
| Vc | 0.278 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.15; 293.36] | J/mol×K | [676.44; 949.68] | 
|
| Cp,gas | 254.15 | J/mol×K | 676.44 | Joback Calculated Property |
| Cp,gas | 261.22 | J/mol×K | 721.98 | Joback Calculated Property |
| Cp,gas | 267.80 | J/mol×K | 767.52 | Joback Calculated Property |
| Cp,gas | 274.10 | J/mol×K | 813.06 | Joback Calculated Property |
| Cp,gas | 280.31 | J/mol×K | 858.60 | Joback Calculated Property |
| Cp,gas | 286.67 | J/mol×K | 904.14 | Joback Calculated Property |
| Cp,gas | 293.36 | J/mol×K | 949.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenediol, 2-nitro-.
Sources
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