- InChI
- InChI=1S/C22H28F6O4/c1-2-3-4-5-6-7-8-9-14-31-18(29)16-10-12-17(13-11-16)19(30)32-15-21(24,25)20(23)22(26,27)28/h10-13,20H,2-9,14-15H2,1H3
- InChI Key
- BRQYIOZWLXSXGO-UHFFFAOYSA-N
- Formula
- C22H28F6O4
- SMILES
-
CCCCCCCCCCOC(=O)c1ccc(C(=O)OCC
(F)(F)C(F)C(F)(F)F)cc1 - Molecular Weight1
- 470.45
- 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° | -1396.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1961.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.93 | kJ/mol | Joback Calculated Property |
| log10WS | -7.92 | Crippen Calculated Property | |
| logPoct/wat | 6.677 | Crippen Calculated Property | |
| McVol | 322.580 | ml/mol | McGowan Calculated Property |
| Pc | 1010.37 | kPa | Joback Calculated Property |
| Inp | 2615.00 | NIST | |
| Tboil | 875.72 | K | Joback Calculated Property |
| Tc | 1072.32 | K | Joback Calculated Property |
| Tfus | 514.34 | K | Joback Calculated Property |
| Vc | 1.288 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1042.28; 1117.40] | J/mol×K | [875.72; 1072.32] | 
|
| Cp,gas | 1042.28 | J/mol×K | 875.72 | Joback Calculated Property |
| Cp,gas | 1057.30 | J/mol×K | 908.49 | Joback Calculated Property |
| Cp,gas | 1071.23 | J/mol×K | 941.25 | Joback Calculated Property |
| Cp,gas | 1084.14 | J/mol×K | 974.02 | Joback Calculated Property |
| Cp,gas | 1096.10 | J/mol×K | 1006.78 | Joback Calculated Property |
| Cp,gas | 1107.16 | J/mol×K | 1039.55 | Joback Calculated Property |
| Cp,gas | 1117.40 | J/mol×K | 1072.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, decyl 2,2,3,4,4,4-hexafluorobutyl ester.
Sources
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