- InChI
- InChI=1S/C23H26F2O4/c1-3-4-5-6-9-15-28-22(26)17-11-7-8-12-18(17)23(27)29-16(2)21-19(24)13-10-14-20(21)25/h7-8,10-14,16H,3-6,9,15H2,1-2H3
- InChI Key
- WBSDWFTXCWYSGS-UHFFFAOYSA-N
- Formula
- C23H26F2O4
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OC(C
)c1c(F)cccc1F - Molecular Weight1
- 404.45
- 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° | -521.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -966.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.62 | kJ/mol | Joback Calculated Property |
| log10WS | -7.62 | Crippen Calculated Property | |
| logPoct/wat | 6.010 | Crippen Calculated Property | |
| McVol | 305.830 | ml/mol | McGowan Calculated Property |
| Pc | 1276.42 | kPa | Joback Calculated Property |
| Inp | 2639.00 | NIST | |
| Tboil | 944.62 | K | Joback Calculated Property |
| Tc | 1162.27 | K | Joback Calculated Property |
| Tfus | 569.87 | K | Joback Calculated Property |
| Vc | 1.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.39; 1031.11] | J/mol×K | [944.62; 1162.27] | 
|
| Cp,gas | 969.39 | J/mol×K | 944.62 | Joback Calculated Property |
| Cp,gas | 982.89 | J/mol×K | 980.90 | Joback Calculated Property |
| Cp,gas | 995.06 | J/mol×K | 1017.17 | Joback Calculated Property |
| Cp,gas | 1005.94 | J/mol×K | 1053.45 | Joback Calculated Property |
| Cp,gas | 1015.55 | J/mol×K | 1089.72 | Joback Calculated Property |
| Cp,gas | 1023.93 | J/mol×K | 1126.00 | Joback Calculated Property |
| Cp,gas | 1031.11 | J/mol×K | 1162.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 1-(2,6-difluorophenyl)ethyl heptyl ester.
Sources
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