- InChI
- InChI=1S/C18H23FO4/c1-3-4-5-6-9-14(2)22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-14H,3-6,9H2,1-2H3/b13-12+
- InChI Key
- KDRDHXICWXNTKN-OUKQBFOZSA-N
- Formula
- C18H23FO4
- SMILES
-
CCCCCCC(C)OC(=O)C=CC(=O)Oc1ccc
cc1F - Molecular Weight1
- 322.37
- 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° | -381.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -763.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 4.189 | Crippen Calculated Property | |
| McVol | 253.070 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | [2162.00; 2162.00] |
|
|
| Inp | 2162.00 | NIST | |
| Inp | 2162.00 | NIST | |
| Tboil | 798.47 | K | Joback Calculated Property |
| Tc | 1000.03 | K | Joback Calculated Property |
| Tfus | 456.39 | K | Joback Calculated Property |
| Vc | 0.976 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.83; 818.47] | J/mol×K | [798.47; 1000.03] |
|
| Cp,gas | 743.83 | J/mol×K | 798.47 | Joback Calculated Property |
| Cp,gas | 758.67 | J/mol×K | 832.06 | Joback Calculated Property |
| Cp,gas | 772.52 | J/mol×K | 865.66 | Joback Calculated Property |
| Cp,gas | 785.39 | J/mol×K | 899.25 | Joback Calculated Property |
| Cp,gas | 797.32 | J/mol×K | 932.84 | Joback Calculated Property |
| Cp,gas | 808.34 | J/mol×K | 966.44 | Joback Calculated Property |
| Cp,gas | 818.47 | J/mol×K | 1000.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-octyl 2-fluorophenyl ester.
Sources
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