- InChI
- InChI=1S/C20H21FO4/c1-14(2)6-5-11-24-19(22)15-7-3-8-16(12-15)20(23)25-18-10-4-9-17(21)13-18/h3-4,7-10,12-14H,5-6,11H2,1-2H3
- InChI Key
- WUABVLJKQVZHJI-UHFFFAOYSA-N
- Formula
- C20H21FO4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c
ccc(F)c2)c1 - Molecular Weight1
- 344.38
- 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° | -342.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 4.638 | Crippen Calculated Property | |
| McVol | 261.790 | ml/mol | McGowan Calculated Property |
| Pc | 1664.61 | kPa | Joback Calculated Property |
| Inp | [2586.00; 2586.00] |
|
|
| Inp | 2586.00 | NIST | |
| Inp | 2586.00 | NIST | |
| Tboil | 871.73 | K | Joback Calculated Property |
| Tc | 1092.61 | K | Joback Calculated Property |
| Tfus | 522.95 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.22; 852.30] | J/mol×K | [871.73; 1092.61] |
|
| Cp,gas | 788.22 | J/mol×K | 871.73 | Joback Calculated Property |
| Cp,gas | 801.95 | J/mol×K | 908.54 | Joback Calculated Property |
| Cp,gas | 814.42 | J/mol×K | 945.36 | Joback Calculated Property |
| Cp,gas | 825.65 | J/mol×K | 982.17 | Joback Calculated Property |
| Cp,gas | 835.69 | J/mol×K | 1018.98 | Joback Calculated Property |
| Cp,gas | 844.56 | J/mol×K | 1055.79 | Joback Calculated Property |
| Cp,gas | 852.30 | J/mol×K | 1092.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-fluorophenyl isohexyl ester.
Sources
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