- InChI
- InChI=1S/C25H22FNO3/c26-22-13-7-8-14-23(22)30-25(29)16-15-24(28)27(19-21-11-5-2-6-12-21)18-17-20-9-3-1-4-10-20/h1-16H,17-19H2/b16-15+
- InChI Key
- HAUSSUIWYOGCIB-FOCLMDBBSA-N
- Formula
- C25H22FNO3
- SMILES
-
O=C(C=CC(=O)N(CCc1ccccc1)Cc1cc
ccc1)Oc1ccccc1F - Molecular Weight1
- 403.45
- 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 | 0.8502 | Relay (1.0) Calculated Property | |
| ΔfG° | 120.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.559 | Crippen Calculated Property | |
| McVol | 308.290 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | 3369.00 | NIST | |
| Tboil | 713.65 | K | Relay (1.0) Calculated Property |
| Tc | 1020.72 | K | Relay (1.0) Calculated Property |
| Tfus | 355.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [962.35; 1026.17] | J/mol×K | [1002.45; 1244.79] | 
|
| Cp,gas | 962.35 | J/mol×K | 1002.45 | Joback Calculated Property |
| Cp,gas | 975.09 | J/mol×K | 1042.84 | Joback Calculated Property |
| Cp,gas | 986.80 | J/mol×K | 1083.23 | Joback Calculated Property |
| Cp,gas | 997.62 | J/mol×K | 1123.62 | Joback Calculated Property |
| Cp,gas | 1007.70 | J/mol×K | 1164.01 | Joback Calculated Property |
| Cp,gas | 1017.17 | J/mol×K | 1204.40 | Joback Calculated Property |
| Cp,gas | 1026.17 | J/mol×K | 1244.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-fluorophenyl ester.
Sources
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