- InChI
- InChI=1S/C20H20F2O4/c1-13(2)5-4-8-25-19(23)14-6-3-7-15(9-14)20(24)26-18-11-16(21)10-17(22)12-18/h3,6-7,9-13H,4-5,8H2,1-2H3
- InChI Key
- YAMMGDWPWBWKFV-UHFFFAOYSA-N
- Formula
- C20H20F2O4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c
c(F)cc(F)c2)c1 - Molecular Weight1
- 362.37
- 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° | -546.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -904.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.94 | kJ/mol | Joback Calculated Property |
| log10WS | -6.32 | Crippen Calculated Property | |
| logPoct/wat | 4.777 | Crippen Calculated Property | |
| McVol | 263.560 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | [2515.00; 2515.00] |
|
|
| Inp | 2515.00 | NIST | |
| Inp | 2515.00 | NIST | |
| Tboil | 875.98 | K | Joback Calculated Property |
| Tc | 1091.86 | K | Joback Calculated Property |
| Tfus | 536.06 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.36; 855.71] | J/mol×K | [875.98; 1091.86] |
|
| Cp,gas | 794.36 | J/mol×K | 875.98 | Joback Calculated Property |
| Cp,gas | 807.53 | J/mol×K | 911.96 | Joback Calculated Property |
| Cp,gas | 819.48 | J/mol×K | 947.94 | Joback Calculated Property |
| Cp,gas | 830.25 | J/mol×K | 983.92 | Joback Calculated Property |
| Cp,gas | 839.87 | J/mol×K | 1019.90 | Joback Calculated Property |
| Cp,gas | 848.34 | J/mol×K | 1055.88 | Joback Calculated Property |
| Cp,gas | 855.71 | J/mol×K | 1091.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,5-difluorophenyl isohexyl ester.
Sources
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