- InChI
- InChI=1S/C18H15F2NO3/c1-2-12-5-3-4-6-16(12)21-17(22)7-8-18(23)24-15-10-13(19)9-14(20)11-15/h3-11H,2H2,1H3,(H,21,22)/b8-7+
- InChI Key
- ZHYKIZJDNAKQTO-BQYQJAHWSA-N
- Formula
- C18H15F2NO3
- SMILES
-
CCc1ccccc1NC(=O)C=CC(=O)Oc1cc(
F)cc(F)c1 - Molecular Weight1
- 331.31
- Other Names
-
- Fumaric acid, monoamide, N-(2-ethylphenyl)-, 3,5-fluorophenyl ester
- 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° | -286.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.96 | Crippen Calculated Property | |
| logPoct/wat | 3.627 | Crippen Calculated Property | |
| McVol | 235.190 | ml/mol | McGowan Calculated Property |
| Pc | 1984.12 | kPa | Joback Calculated Property |
| Inp | 2609.00 | NIST | |
| Tboil | 862.57 | K | Joback Calculated Property |
| Tc | 1086.06 | K | Joback Calculated Property |
| Tfus | 553.87 | K | Joback Calculated Property |
| Vc | 0.908 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.86; 737.08] | J/mol×K | [862.57; 1086.06] | 
|
| Cp,gas | 679.86 | J/mol×K | 862.57 | Joback Calculated Property |
| Cp,gas | 691.71 | J/mol×K | 899.82 | Joback Calculated Property |
| Cp,gas | 702.56 | J/mol×K | 937.07 | Joback Calculated Property |
| Cp,gas | 712.47 | J/mol×K | 974.32 | Joback Calculated Property |
| Cp,gas | 721.49 | J/mol×K | 1011.57 | Joback Calculated Property |
| Cp,gas | 729.67 | J/mol×K | 1048.82 | Joback Calculated Property |
| Cp,gas | 737.08 | J/mol×K | 1086.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(2-ethylphenyl)-, 3,5-difluorophenyl ester.
Sources
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