- InChI
- InChI=1S/C16H11F2NO3/c17-11-4-3-5-12(10-11)22-16(21)9-8-15(20)19-14-7-2-1-6-13(14)18/h1-10H,(H,19,20)/b9-8+
- InChI Key
- RHYJMCYJRHGUMG-CMDGGOBGSA-N
- Formula
- C16H11F2NO3
- SMILES
-
O=C(C=CC(=O)Oc1cccc(F)c1)Nc1cc
ccc1F - Molecular Weight1
- 303.26
- 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° | -293.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.065 | Crippen Calculated Property | |
| McVol | 207.010 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Inp | [2479.00; 2479.00] |
|
|
| Inp | 2479.00 | NIST | |
| Inp | 2479.00 | NIST | |
| Tboil | 811.83 | K | Joback Calculated Property |
| Tc | 1039.56 | K | Joback Calculated Property |
| Tfus | 518.81 | K | Joback Calculated Property |
| Vc | 0.796 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.68; 625.92] | J/mol×K | [811.83; 1039.56] |
|
| Cp,gas | 571.68 | J/mol×K | 811.83 | Joback Calculated Property |
| Cp,gas | 582.99 | J/mol×K | 849.79 | Joback Calculated Property |
| Cp,gas | 593.31 | J/mol×K | 887.74 | Joback Calculated Property |
| Cp,gas | 602.71 | J/mol×K | 925.70 | Joback Calculated Property |
| Cp,gas | 611.23 | J/mol×K | 963.65 | Joback Calculated Property |
| Cp,gas | 618.95 | J/mol×K | 1001.61 | Joback Calculated Property |
| Cp,gas | 625.92 | J/mol×K | 1039.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(2-fluorophenyl)-, 3-fluorophenyl ester.
Sources
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