- InChI
- InChI=1S/C21H26F6O4/c1-2-3-4-5-6-7-8-13-30-17(28)15-9-11-16(12-10-15)18(29)31-14-20(23,24)19(22)21(25,26)27/h9-12,19H,2-8,13-14H2,1H3
- InChI Key
- VIMZVXBNLDIJHS-UHFFFAOYSA-N
- Formula
- C21H26F6O4
- SMILES
-
CCCCCCCCCOC(=O)c1ccc(C(=O)OCC(
F)(F)C(F)C(F)(F)F)cc1 - Molecular Weight1
- 456.42
- 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° | -1404.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1940.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.71 | kJ/mol | Joback Calculated Property |
| log10WS | -7.50 | Crippen Calculated Property | |
| logPoct/wat | 6.287 | Crippen Calculated Property | |
| McVol | 308.490 | ml/mol | McGowan Calculated Property |
| Pc | 1074.98 | kPa | Joback Calculated Property |
| Inp | 2517.00 | NIST | |
| Tboil | 852.84 | K | Joback Calculated Property |
| Tc | 1045.34 | K | Joback Calculated Property |
| Tfus | 503.07 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [983.20; 1056.48] | J/mol×K | [852.84; 1045.34] | 
|
| Cp,gas | 983.20 | J/mol×K | 852.84 | Joback Calculated Property |
| Cp,gas | 997.81 | J/mol×K | 884.92 | Joback Calculated Property |
| Cp,gas | 1011.39 | J/mol×K | 917.01 | Joback Calculated Property |
| Cp,gas | 1023.98 | J/mol×K | 949.09 | Joback Calculated Property |
| Cp,gas | 1035.66 | J/mol×K | 981.17 | Joback Calculated Property |
| Cp,gas | 1046.48 | J/mol×K | 1013.25 | Joback Calculated Property |
| Cp,gas | 1056.48 | J/mol×K | 1045.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl nonyl ester.
Sources
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