- InChI
- InChI=1S/C18H15FO4/c19-15-8-4-5-9-16(15)23-18(21)11-10-17(20)22-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2/b11-10+
- InChI Key
- CZALSJWRFPJZDH-ZHACJKMWSA-N
- Formula
- C18H15FO4
- SMILES
-
O=C(C=CC(=O)Oc1ccccc1F)OCCc1cc
ccc1 - Molecular Weight1
- 314.31
- 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° | -266.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.073 | Crippen Calculated Property | |
| McVol | 229.310 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Inp | [2345.00; 2345.00] |
|
|
| Inp | 2345.00 | NIST | |
| Inp | 2345.00 | NIST | |
| Tboil | 825.59 | K | Joback Calculated Property |
| Tc | 1053.23 | K | Joback Calculated Property |
| Tfus | 497.81 | K | Joback Calculated Property |
| Vc | 0.874 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.17; 710.53] | J/mol×K | [825.59; 1053.23] |
|
| Cp,gas | 649.17 | J/mol×K | 825.59 | Joback Calculated Property |
| Cp,gas | 662.05 | J/mol×K | 863.53 | Joback Calculated Property |
| Cp,gas | 673.80 | J/mol×K | 901.47 | Joback Calculated Property |
| Cp,gas | 684.47 | J/mol×K | 939.41 | Joback Calculated Property |
| Cp,gas | 694.11 | J/mol×K | 977.35 | Joback Calculated Property |
| Cp,gas | 702.78 | J/mol×K | 1015.29 | Joback Calculated Property |
| Cp,gas | 710.53 | J/mol×K | 1053.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-phenethyl 2-fluorophenyl ester.
Sources
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