- InChI
- InChI=1S/C12H14N2O4/c1-8-6-4-5-7-10(8)13-9(2)11(14(16)17)12(15)18-3/h4-7,13H,1-3H3/b11-9-
- InChI Key
- BADBMFQWMIQDHO-LUAWRHEFSA-N
- Formula
- C12H14N2O4
- SMILES
-
COC(=O)C(=C(C)Nc1ccccc1C)[N+](
=O)[O-] - Molecular Weight1
- 250.25
- CAS
- 127727-81-5
- 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° | 107.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 2.088 | Crippen Calculated Property | |
| McVol | 186.720 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Tboil | 787.84 | K | Joback Calculated Property |
| Tc | 1029.73 | K | Joback Calculated Property |
| Tfus | 499.37 | K | Joback Calculated Property |
| Vc | 0.723 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.97; 582.14] | J/mol×K | [787.84; 1029.73] | 
|
| Cp,gas | 521.97 | J/mol×K | 787.84 | Joback Calculated Property |
| Cp,gas | 534.30 | J/mol×K | 828.15 | Joback Calculated Property |
| Cp,gas | 545.63 | J/mol×K | 868.47 | Joback Calculated Property |
| Cp,gas | 556.02 | J/mol×K | 908.78 | Joback Calculated Property |
| Cp,gas | 565.53 | J/mol×K | 949.10 | Joback Calculated Property |
| Cp,gas | 574.22 | J/mol×K | 989.41 | Joback Calculated Property |
| Cp,gas | 582.14 | J/mol×K | 1029.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-(o-Methylphenylamino)-2-nitrocrotonic acid methyl ester.
Sources
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