- InChI
- InChI=1S/C9H12N2O3/c1-10(2)8-6-7(11(12)13)4-5-9(8)14-3/h4-6H,1-3H3
- InChI Key
- PYIGIQPGDKQYJC-UHFFFAOYSA-N
- Formula
- C9H12N2O3
- SMILES
- COc1ccc([N+](=O)[O-])cc1N(C)C
- Molecular Weight1
- 196.20
- Other Names
-
- 2-Dimethylamino-4-nitroanisole, methyl ether
- 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° | 159.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.27 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 1.669 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Inp | [1736.20; 1736.20] |
|
|
| Inp | 1736.20 | NIST | |
| Inp | 1736.20 | NIST | |
| Tboil | 628.66 | K | Joback Calculated Property |
| Tc | 861.65 | K | Joback Calculated Property |
| Tfus | 440.96 | K | Joback Calculated Property |
| Vc | 0.549 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [369.18; 435.63] | J/mol×K | [628.66; 861.65] |
|
| Cp,gas | 369.18 | J/mol×K | 628.66 | Joback Calculated Property |
| Cp,gas | 382.39 | J/mol×K | 667.49 | Joback Calculated Property |
| Cp,gas | 394.71 | J/mol×K | 706.32 | Joback Calculated Property |
| Cp,gas | 406.17 | J/mol×K | 745.15 | Joback Calculated Property |
| Cp,gas | 416.79 | J/mol×K | 783.98 | Joback Calculated Property |
| Cp,gas | 426.60 | J/mol×K | 822.81 | Joback Calculated Property |
| Cp,gas | 435.63 | J/mol×K | 861.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-4-nitrophenol, N,N-dimethyl-, methyl ether.
Sources
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