- InChI
- InChI=1S/C20H24F6O4/c1-2-3-4-5-6-7-12-29-16(27)14-8-10-15(11-9-14)17(28)30-13-19(22,23)18(21)20(24,25)26/h8-11,18H,2-7,12-13H2,1H3
- InChI Key
- MYXUSVMHEUVFCE-UHFFFAOYSA-N
- Formula
- C20H24F6O4
- SMILES
-
CCCCCCCCOC(=O)c1ccc(C(=O)OCC(F
)(F)C(F)C(F)(F)F)cc1 - Molecular Weight1
- 442.39
- 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° | -1413.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1920.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.48 | kJ/mol | Joback Calculated Property |
| log10WS | -7.08 | Crippen Calculated Property | |
| logPoct/wat | 5.896 | Crippen Calculated Property | |
| McVol | 294.400 | ml/mol | McGowan Calculated Property |
| Pc | 1145.99 | kPa | Joback Calculated Property |
| Inp | 2421.00 | NIST | |
| Tboil | 829.96 | K | Joback Calculated Property |
| Tc | 1019.20 | K | Joback Calculated Property |
| Tfus | 491.80 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [924.85; 996.38] | J/mol×K | [829.96; 1019.20] | 
|
| Cp,gas | 924.85 | J/mol×K | 829.96 | Joback Calculated Property |
| Cp,gas | 939.08 | J/mol×K | 861.50 | Joback Calculated Property |
| Cp,gas | 952.32 | J/mol×K | 893.04 | Joback Calculated Property |
| Cp,gas | 964.62 | J/mol×K | 924.58 | Joback Calculated Property |
| Cp,gas | 976.03 | J/mol×K | 956.12 | Joback Calculated Property |
| Cp,gas | 986.60 | J/mol×K | 987.66 | Joback Calculated Property |
| Cp,gas | 996.38 | J/mol×K | 1019.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl octyl ester.
Sources
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