- InChI
- InChI=1S/C18H16FNO3/c1-2-13-7-3-5-9-15(13)20-17(21)11-12-18(22)23-16-10-6-4-8-14(16)19/h3-12H,2H2,1H3,(H,20,21)/b12-11+
- InChI Key
- SDIOUGCHPJXSSZ-VAWYXSNFSA-N
- Formula
- C18H16FNO3
- SMILES
-
CCc1ccccc1NC(=O)C=CC(=O)Oc1ccc
cc1F - Molecular Weight1
- 313.32
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7755 | Relay (1.0) Calculated Property | |
| ΔfG° | -81.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.488 | Crippen Calculated Property | |
| McVol | 233.420 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | 2706.00 | NIST | |
| Tboil | 630.61 | K | Relay (1.0) Calculated Property |
| Tc | 931.47 | K | Relay (1.0) Calculated Property |
| Tfus | 387.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.89; 733.90] | J/mol×K | [858.32; 1088.20] | 
|
| Cp,gas | 673.89 | J/mol×K | 858.32 | Joback Calculated Property |
| Cp,gas | 686.32 | J/mol×K | 896.63 | Joback Calculated Property |
| Cp,gas | 697.68 | J/mol×K | 934.95 | Joback Calculated Property |
| Cp,gas | 708.06 | J/mol×K | 973.26 | Joback Calculated Property |
| Cp,gas | 717.51 | J/mol×K | 1011.58 | Joback Calculated Property |
| Cp,gas | 726.10 | J/mol×K | 1049.89 | Joback Calculated Property |
| Cp,gas | 733.90 | J/mol×K | 1088.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-fluorophenyl ester.
Sources
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