- InChI
- InChI=1S/C21H27F5O4/c1-2-3-12-29-15(27)10-8-6-4-5-7-9-11-16(28)30-13-14-17(22)19(24)21(26)20(25)18(14)23/h2-13H2,1H3
- InChI Key
- UXNBLOBAQGLSOT-UHFFFAOYSA-N
- Formula
- C21H27F5O4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCc1c(F
)c(F)c(F)c(F)c1F - Molecular Weight1
- 438.43
- 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° | -1251.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1767.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.15 | kJ/mol | Joback Calculated Property |
| log10WS | -7.59 | Crippen Calculated Property | |
| logPoct/wat | 5.889 | Crippen Calculated Property | |
| McVol | 306.720 | ml/mol | McGowan Calculated Property |
| Pc | 1033.24 | kPa | Joback Calculated Property |
| Inp | [2471.00; 2471.00] |
|
|
| Inp | 2471.00 | NIST | |
| Inp | 2471.00 | NIST | |
| Tboil | 880.39 | K | Joback Calculated Property |
| Tc | 1077.96 | K | Joback Calculated Property |
| Tfus | 562.72 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.71; 1043.15] | J/mol×K | [880.39; 1077.96] |
|
| Cp,gas | 970.71 | J/mol×K | 880.39 | Joback Calculated Property |
| Cp,gas | 985.61 | J/mol×K | 913.32 | Joback Calculated Property |
| Cp,gas | 999.37 | J/mol×K | 946.25 | Joback Calculated Property |
| Cp,gas | 1012.00 | J/mol×K | 979.17 | Joback Calculated Property |
| Cp,gas | 1023.50 | J/mol×K | 1012.10 | Joback Calculated Property |
| Cp,gas | 1033.88 | J/mol×K | 1045.03 | Joback Calculated Property |
| Cp,gas | 1043.15 | J/mol×K | 1077.96 | Joback Calculated Property |
Similar Compounds
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Sources
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