- InChI
- InChI=1S/C25H33F7O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-35-21(33)19-15-12-13-16-20(19)22(34)36-18-23(26,27)24(28,29)25(30,31)32/h12-13,15-16H,2-11,14,17-18H2,1H3
- InChI Key
- GWQTTZHHABXYIZ-UHFFFAOYSA-N
- Formula
- C25H33F7O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCC(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 530.52
- 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° | -1560.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2222.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.89 | kJ/mol | Joback Calculated Property |
| log10WS | -9.53 | Crippen Calculated Property | |
| logPoct/wat | 8.144 | Crippen Calculated Property | |
| McVol | 366.620 | ml/mol | McGowan Calculated Property |
| Pc | 831.46 | kPa | Joback Calculated Property |
| Inp | 2607.00 | NIST | |
| Tboil | 940.84 | K | Joback Calculated Property |
| Tc | 1154.86 | K | Joback Calculated Property |
| Tfus | 566.16 | K | Joback Calculated Property |
| Vc | 1.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1230.15; 1312.47] | J/mol×K | [940.84; 1154.86] | 
|
| Cp,gas | 1230.15 | J/mol×K | 940.84 | Joback Calculated Property |
| Cp,gas | 1246.41 | J/mol×K | 976.51 | Joback Calculated Property |
| Cp,gas | 1261.50 | J/mol×K | 1012.18 | Joback Calculated Property |
| Cp,gas | 1275.54 | J/mol×K | 1047.85 | Joback Calculated Property |
| Cp,gas | 1288.64 | J/mol×K | 1083.52 | Joback Calculated Property |
| Cp,gas | 1300.91 | J/mol×K | 1119.19 | Joback Calculated Property |
| Cp,gas | 1312.47 | J/mol×K | 1154.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester.
Sources
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