- InChI
- InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H
- InChI Key
- MHKBMNACOMRIAW-UHFFFAOYSA-N
- Formula
- C6H4N2O5
- SMILES
-
O=[N+]([O-])c1cccc(O)c1[N+](=O
)[O-] - Molecular Weight1
- 184.11
- CAS
- 66-56-8
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | 18.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.32 | Crippen Calculated Property | |
| logPoct/wat | 1.209 | Crippen Calculated Property | |
| McVol | 112.350 | ml/mol | McGowan Calculated Property |
| Pc | 5871.90 | kPa | Joback Calculated Property |
| Tboil | 752.64 | K | Joback Calculated Property |
| Tc | 1038.65 | K | Joback Calculated Property |
| Tfus | 417.00 ± 0.20 | K | NIST |
| Vc | 0.394 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.91; 327.23] | J/mol×K | [752.64; 1038.65] | 
|
| Cp,gas | 287.91 | J/mol×K | 752.64 | Joback Calculated Property |
| Cp,gas | 295.32 | J/mol×K | 800.31 | Joback Calculated Property |
| Cp,gas | 302.18 | J/mol×K | 847.98 | Joback Calculated Property |
| Cp,gas | 308.65 | J/mol×K | 895.64 | Joback Calculated Property |
| Cp,gas | 314.88 | J/mol×K | 943.31 | Joback Calculated Property |
| Cp,gas | 321.02 | J/mol×K | 990.98 | Joback Calculated Property |
| Cp,gas | 327.23 | J/mol×K | 1038.65 | Joback Calculated Property |
| ΔfusH | [22.67; 26.24] | kJ/mol | [417.00; 419.00] |
|
| ΔfusH | 26.24 | kJ/mol | 417.00 | NIST |
| ΔfusH | 26.24 | kJ/mol | 417.00 | NIST |
| ΔfusH | 26.24 | kJ/mol | 417.00 | NIST |
| ΔfusH | 22.67 | kJ/mol | 419.00 | NIST |
| ΔsubH | 96.60 | kJ/mol | 323.00 | NIST |
| ΔfusS | 62.92 | J/mol×K | 417.00 | NIST |
Similar Compounds
Find more compounds similar to 2,3-dinitrophenol.
Sources
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