- InChI
- InChI=1S/C26H30F4O4/c1-2-3-4-5-6-7-8-9-12-15-33-25(31)19-13-10-11-14-20(19)26(32)34-17-18-16-21(27)23(29)24(30)22(18)28/h10-11,13-14,16H,2-9,12,15,17H2,1H3
- InChI Key
- FISHFIFAFNKNBD-UHFFFAOYSA-N
- Formula
- C26H30F4O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCc1cc(F)c(F)c(F)c1F - Molecular Weight1
- 482.51
- 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° | -902.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1438.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.38 | kJ/mol | Joback Calculated Property |
| log10WS | -9.58 | Crippen Calculated Property | |
| logPoct/wat | 7.288 | Crippen Calculated Property | |
| McVol | 351.640 | ml/mol | McGowan Calculated Property |
| Pc | 967.47 | kPa | Joback Calculated Property |
| Inp | 2924.00 | NIST | |
| Tboil | 1022.20 | K | Joback Calculated Property |
| Tc | 1253.30 | K | Joback Calculated Property |
| Tfus | 644.90 | K | Joback Calculated Property |
| Vc | 1.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1160.22; 1217.10] | J/mol×K | [1022.20; 1253.30] | 
|
| Cp,gas | 1160.22 | J/mol×K | 1022.20 | Joback Calculated Property |
| Cp,gas | 1173.60 | J/mol×K | 1060.72 | Joback Calculated Property |
| Cp,gas | 1185.36 | J/mol×K | 1099.23 | Joback Calculated Property |
| Cp,gas | 1195.55 | J/mol×K | 1137.75 | Joback Calculated Property |
| Cp,gas | 1204.21 | J/mol×K | 1176.26 | Joback Calculated Property |
| Cp,gas | 1211.38 | J/mol×K | 1214.78 | Joback Calculated Property |
| Cp,gas | 1217.10 | J/mol×K | 1253.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2,3,4,5-tetrafluorobenzyl undecyl ester.
Sources
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