- InChI
- InChI=1S/C20H21FO4/c1-2-3-4-5-12-24-19(22)15-8-6-9-16(13-15)20(23)25-18-11-7-10-17(21)14-18/h6-11,13-14H,2-5,12H2,1H3
- InChI Key
- VQZQVWVGTUZELI-UHFFFAOYSA-N
- Formula
- C20H21FO4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
c(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° | -339.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.48 | kJ/mol | Joback Calculated Property |
| log10WS | -6.23 | Crippen Calculated Property | |
| logPoct/wat | 4.782 | Crippen Calculated Property | |
| McVol | 261.790 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | 2638.00 | NIST | |
| Tboil | 872.17 | K | Joback Calculated Property |
| Tc | 1090.48 | K | Joback Calculated Property |
| Tfus | 537.95 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [787.68; 851.56] | J/mol×K | [872.17; 1090.48] | 
|
| Cp,gas | 787.68 | J/mol×K | 872.17 | Joback Calculated Property |
| Cp,gas | 801.27 | J/mol×K | 908.56 | Joback Calculated Property |
| Cp,gas | 813.65 | J/mol×K | 944.94 | Joback Calculated Property |
| Cp,gas | 824.84 | J/mol×K | 981.33 | Joback Calculated Property |
| Cp,gas | 834.86 | J/mol×K | 1017.71 | Joback Calculated Property |
| Cp,gas | 843.76 | J/mol×K | 1054.10 | Joback Calculated Property |
| Cp,gas | 851.56 | J/mol×K | 1090.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-fluorophenyl hexyl ester.
Sources
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