- InChI
- InChI=1S/C21H27F5O4/c1-13(2)11-29-15(27)9-7-5-3-4-6-8-10-16(28)30-12-14-17(22)19(24)21(26)20(25)18(14)23/h13H,3-12H2,1-2H3
- InChI Key
- RWZUTZCVIBYCCE-UHFFFAOYSA-N
- Formula
- C21H27F5O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCc1c
(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 438.43
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0490 | Relay (1.0) Calculated Property | |
| ΔfG° | -1254.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1664.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.745 | Crippen Calculated Property | |
| McVol | 306.720 | ml/mol | McGowan Calculated Property |
| Pc | 1038.57 | kPa | Joback Calculated Property |
| Inp | [2426.00; 2426.00] |
|
|
| Inp | 2426.00 | NIST | |
| Inp | 2426.00 | NIST | |
| Tboil | 627.51 | K | Relay (1.0) Calculated Property |
| Tc | 794.18 | K | Relay (1.0) Calculated Property |
| Tfus | 323.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [971.21; 1043.33] | J/mol×K | [879.95; 1077.31] |
|
| Cp,gas | 971.21 | J/mol×K | 879.95 | Joback Calculated Property |
| Cp,gas | 986.08 | J/mol×K | 912.84 | Joback Calculated Property |
| Cp,gas | 999.80 | J/mol×K | 945.74 | Joback Calculated Property |
| Cp,gas | 1012.38 | J/mol×K | 978.63 | Joback Calculated Property |
| Cp,gas | 1023.82 | J/mol×K | 1011.52 | Joback Calculated Property |
| Cp,gas | 1034.14 | J/mol×K | 1044.42 | Joback Calculated Property |
| Cp,gas | 1043.33 | J/mol×K | 1077.31 | Joback Calculated Property |
Similar Compounds
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Sources
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