- InChI
- InChI=1S/C18H14ClFO4/c19-14-7-4-8-15(20)18(14)24-17(22)10-9-16(21)23-12-11-13-5-2-1-3-6-13/h1-10H,11-12H2/b10-9+
- InChI Key
- AQCUXUSJLIFROK-MDZDMXLPSA-N
- Formula
- C18H14ClFO4
- SMILES
-
O=C(C=CC(=O)Oc1c(F)cccc1Cl)OCC
c1ccccc1 - Molecular Weight1
- 348.75
- 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° | -288.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 3.727 | Crippen Calculated Property | |
| McVol | 241.550 | ml/mol | McGowan Calculated Property |
| Pc | 1971.80 | kPa | Joback Calculated Property |
| Inp | [2480.00; 2480.00] |
|
|
| Inp | 2480.00 | NIST | |
| Inp | 2480.00 | NIST | |
| Tboil | 868.00 | K | Joback Calculated Property |
| Tc | 1099.27 | K | Joback Calculated Property |
| Tfus | 540.25 | K | Joback Calculated Property |
| Vc | 0.922 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.68; 723.25] | J/mol×K | [868.00; 1099.27] |
|
| Cp,gas | 669.68 | J/mol×K | 868.00 | Joback Calculated Property |
| Cp,gas | 681.18 | J/mol×K | 906.55 | Joback Calculated Property |
| Cp,gas | 691.60 | J/mol×K | 945.09 | Joback Calculated Property |
| Cp,gas | 700.96 | J/mol×K | 983.64 | Joback Calculated Property |
| Cp,gas | 709.33 | J/mol×K | 1022.18 | Joback Calculated Property |
| Cp,gas | 716.74 | J/mol×K | 1060.73 | Joback Calculated Property |
| Cp,gas | 723.25 | J/mol×K | 1099.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-phenethyl 2-chloro-6-fluorophenyl ester.
Sources
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