- InChI
- InChI=1S/C19H22F6O4/c1-2-3-4-5-6-11-28-15(26)13-7-9-14(10-8-13)16(27)29-12-18(21,22)17(20)19(23,24)25/h7-10,17H,2-6,11-12H2,1H3
- InChI Key
- DHUCEWFZXGWHCK-UHFFFAOYSA-N
- Formula
- C19H22F6O4
- SMILES
-
CCCCCCCOC(=O)c1ccc(C(=O)OCC(F)
(F)C(F)C(F)(F)F)cc1 - Molecular Weight1
- 428.37
- 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° | -1421.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1899.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 5.506 | Crippen Calculated Property | |
| McVol | 280.310 | ml/mol | McGowan Calculated Property |
| Pc | 1224.27 | kPa | Joback Calculated Property |
| Inp | 2325.00 | NIST | |
| Tboil | 807.08 | K | Joback Calculated Property |
| Tc | 993.83 | K | Joback Calculated Property |
| Tfus | 480.53 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [867.29; 937.12] | J/mol×K | [807.08; 993.83] | 
|
| Cp,gas | 867.29 | J/mol×K | 807.08 | Joback Calculated Property |
| Cp,gas | 881.16 | J/mol×K | 838.21 | Joback Calculated Property |
| Cp,gas | 894.07 | J/mol×K | 869.33 | Joback Calculated Property |
| Cp,gas | 906.08 | J/mol×K | 900.46 | Joback Calculated Property |
| Cp,gas | 917.22 | J/mol×K | 931.58 | Joback Calculated Property |
| Cp,gas | 927.55 | J/mol×K | 962.71 | Joback Calculated Property |
| Cp,gas | 937.12 | J/mol×K | 993.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, heptyl 2,2,3,4,4,4-hexafluorobutyl ester.
Sources
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