- InChI
- InChI=1S/C12H15NO2/c1-9(2)8-12(14)13-10-4-6-11(15-3)7-5-10/h4-8H,1-3H3,(H,13,14)
- InChI Key
- GHNFZPUZIVOQFO-UHFFFAOYSA-N
- Formula
- C12H15NO2
- SMILES
- COc1ccc(NC(=O)C=C(C)C)cc1
- Molecular Weight1
- 205.25
- 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° | 80.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.87 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.600 | Crippen Calculated Property | |
| McVol | 169.300 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Inp | 1897.00 | NIST | |
| Tboil | 636.12 | K | Joback Calculated Property |
| Tc | 855.05 | K | Joback Calculated Property |
| Tfus | 369.72 | K | Joback Calculated Property |
| Vc | 0.639 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.78; 496.79] | J/mol×K | [636.12; 855.05] | 
|
| Cp,gas | 423.78 | J/mol×K | 636.12 | Joback Calculated Property |
| Cp,gas | 438.08 | J/mol×K | 672.61 | Joback Calculated Property |
| Cp,gas | 451.49 | J/mol×K | 709.10 | Joback Calculated Property |
| Cp,gas | 464.02 | J/mol×K | 745.58 | Joback Calculated Property |
| Cp,gas | 475.72 | J/mol×K | 782.07 | Joback Calculated Property |
| Cp,gas | 486.64 | J/mol×K | 818.56 | Joback Calculated Property |
| Cp,gas | 496.79 | J/mol×K | 855.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide, N-(4-methoxyphenyl)-3-methyl-.
Sources
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