- InChI
- InChI=1S/C8H10N2O3/c1-9-7-5-6(10(11)12)3-4-8(7)13-2/h3-5,9H,1-2H3
- InChI Key
- NYXQGPQZKJOXJE-UHFFFAOYSA-N
- Formula
- C8H10N2O3
- SMILES
- CNc1cc([N+](=O)[O-])ccc1OC
- Molecular Weight1
- 182.18
- 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).
- Inp : Non-polar retention indices.
- 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° | 129.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 1.645 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Inp | 1592.30 | NIST | |
| Tboil | 643.51 | K | Joback Calculated Property |
| Tc | 883.07 | K | Joback Calculated Property |
| Tfus | 449.88 | K | Joback Calculated Property |
| Vc | 0.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.58; 390.25] | J/mol×K | [643.51; 883.07] | 
|
| Cp,gas | 331.58 | J/mol×K | 643.51 | Joback Calculated Property |
| Cp,gas | 343.32 | J/mol×K | 683.44 | Joback Calculated Property |
| Cp,gas | 354.26 | J/mol×K | 723.36 | Joback Calculated Property |
| Cp,gas | 364.41 | J/mol×K | 763.29 | Joback Calculated Property |
| Cp,gas | 373.79 | J/mol×K | 803.22 | Joback Calculated Property |
| Cp,gas | 382.39 | J/mol×K | 843.15 | Joback Calculated Property |
| Cp,gas | 390.25 | J/mol×K | 883.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-4-nitrophenol, N,O-bis(methyl)-.
Sources
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