- InChI
- InChI=1S/C22H31F3O5/c1-2-3-16-28-20(26)10-8-6-4-5-7-9-11-21(27)29-17-18-12-14-19(15-13-18)30-22(23,24)25/h12-15H,2-11,16-17H2,1H3
- InChI Key
- RVGQDRAEZIYRHD-UHFFFAOYSA-N
- Formula
- C22H31F3O5
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCc1ccc
(OC(F)(F)F)cc1 - Molecular Weight1
- 432.47
- 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° | -917.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1491.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.48 | kJ/mol | Joback Calculated Property |
| log10WS | -7.21 | Crippen Calculated Property | |
| logPoct/wat | 6.092 | Crippen Calculated Property | |
| McVol | 323.140 | ml/mol | McGowan Calculated Property |
| Pc | 1071.46 | kPa | Joback Calculated Property |
| Inp | [2426.00; 2426.00] |
|
|
| Inp | 2426.00 | NIST | |
| Inp | 2426.00 | NIST | |
| Tboil | 904.00 | K | Joback Calculated Property |
| Tc | 1107.01 | K | Joback Calculated Property |
| Tfus | 547.38 | K | Joback Calculated Property |
| Vc | 1.268 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1048.79; 1122.63] | J/mol×K | [904.00; 1107.01] |
|
| Cp,gas | 1048.79 | J/mol×K | 904.00 | Joback Calculated Property |
| Cp,gas | 1064.09 | J/mol×K | 937.83 | Joback Calculated Property |
| Cp,gas | 1078.15 | J/mol×K | 971.67 | Joback Calculated Property |
| Cp,gas | 1090.99 | J/mol×K | 1005.50 | Joback Calculated Property |
| Cp,gas | 1102.66 | J/mol×K | 1039.34 | Joback Calculated Property |
| Cp,gas | 1113.19 | J/mol×K | 1073.17 | Joback Calculated Property |
| Cp,gas | 1122.63 | J/mol×K | 1107.01 | Joback Calculated Property |
Similar Compounds
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Sources
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