- InChI
- InChI=1S/C7H8N2O3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,8H2,1H3
- InChI Key
- RUFOHZDEBFYQSV-UHFFFAOYSA-N
- Formula
- C7H8N2O3
- SMILES
- COc1ccc(N)cc1[N+](=O)[O-]
- Molecular Weight1
- 168.15
- CAS
- 577-72-0
- Other Names
-
- Benzenamine, 4-methoxy-3-nitro-
- 4-Methoxy-3-nitroaniline
- 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° | 98.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.42 | kJ/mol | Joback Calculated Property |
| log10WS | -1.88 | Crippen Calculated Property | |
| logPoct/wat | 1.186 | Crippen Calculated Property | |
| McVol | 119.000 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Tboil | 642.99 | K | Joback Calculated Property |
| Tc | 896.92 | K | Joback Calculated Property |
| Tfus | 469.21 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.35; 343.08] | J/mol×K | [642.99; 896.92] | 
|
| Cp,gas | 291.35 | J/mol×K | 642.99 | Joback Calculated Property |
| Cp,gas | 301.87 | J/mol×K | 685.31 | Joback Calculated Property |
| Cp,gas | 311.62 | J/mol×K | 727.63 | Joback Calculated Property |
| Cp,gas | 320.60 | J/mol×K | 769.95 | Joback Calculated Property |
| Cp,gas | 328.83 | J/mol×K | 812.28 | Joback Calculated Property |
| Cp,gas | 336.32 | J/mol×K | 854.60 | Joback Calculated Property |
| Cp,gas | 343.08 | J/mol×K | 896.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Anisidine, 3-nitro-.
Sources
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