- InChI
- InChI=1S/C20H21NO4/c1-15(2)24-17-9-11-18(12-10-17)25-20(23)14-13-19(22)21(3)16-7-5-4-6-8-16/h4-15H,1-3H3/b14-13+
- InChI Key
- XCXWNDVFTXQAHX-BUHFOSPRSA-N
- Formula
- C20H21NO4
- SMILES
-
CC(C)Oc1ccc(OC(=O)C=CC(=O)N(C)
c2ccccc2)cc1 - Molecular Weight1
- 339.38
- 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° | 53.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -304.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.25 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.598 | Crippen Calculated Property | |
| McVol | 265.700 | ml/mol | McGowan Calculated Property |
| Pc | 1824.72 | kPa | Joback Calculated Property |
| Inp | [2731.00; 2731.00] |
|
|
| Inp | 2731.00 | NIST | |
| Inp | 2731.00 | NIST | |
| Tboil | 884.08 | K | Joback Calculated Property |
| Tc | 1115.08 | K | Joback Calculated Property |
| Tfus | 537.23 | K | Joback Calculated Property |
| Vc | 0.980 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [795.96; 862.05] | J/mol×K | [884.08; 1115.08] |
|
| Cp,gas | 795.96 | J/mol×K | 884.08 | Joback Calculated Property |
| Cp,gas | 809.85 | J/mol×K | 922.58 | Joback Calculated Property |
| Cp,gas | 822.49 | J/mol×K | 961.08 | Joback Calculated Property |
| Cp,gas | 833.96 | J/mol×K | 999.58 | Joback Calculated Property |
| Cp,gas | 844.33 | J/mol×K | 1038.08 | Joback Calculated Property |
| Cp,gas | 853.67 | J/mol×K | 1076.58 | Joback Calculated Property |
| Cp,gas | 862.05 | J/mol×K | 1115.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-isopropoxyphenyl ester.
Sources
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