- InChI
- InChI=1S/C27H34F10O4/c1-13(40-20(38)24(28,29)26(32,33)34)17-6-7-18-16-5-4-14-12-15(41-21(39)25(30,31)27(35,36)37)8-10-22(14,2)19(16)9-11-23(17,18)3/h13-19H,4-12H2,1-3H3
- InChI Key
- VEMXZGRZAVUCLD-UHFFFAOYSA-N
- Formula
- C27H34F10O4
- SMILES
-
CC(OC(=O)C(F)(F)C(F)(F)F)C1CCC
2C3CCC4CC(OC(=O)C(F)(F)C(F)(F) F)CCC4(C)C3CCC12C - Molecular Weight1
- 612.54
- 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° | -2089.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2882.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.24 | kJ/mol | Joback Calculated Property |
| log10WS | -8.91 | Crippen Calculated Property | |
| logPoct/wat | 7.884 | Crippen Calculated Property | |
| McVol | 380.430 | ml/mol | McGowan Calculated Property |
| Pc | 825.26 | kPa | Joback Calculated Property |
| Inp | 2485.70 | NIST | |
| Tboil | 979.19 | K | Joback Calculated Property |
| Tc | 1198.84 | K | Joback Calculated Property |
| Tfus | 623.95 | K | Joback Calculated Property |
| Vc | 1.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1458.03; 1642.23] | J/mol×K | [979.19; 1198.84] | 
|
| Cp,gas | 1458.03 | J/mol×K | 979.19 | Joback Calculated Property |
| Cp,gas | 1485.51 | J/mol×K | 1015.80 | Joback Calculated Property |
| Cp,gas | 1513.79 | J/mol×K | 1052.41 | Joback Calculated Property |
| Cp,gas | 1543.23 | J/mol×K | 1089.01 | Joback Calculated Property |
| Cp,gas | 1574.20 | J/mol×K | 1125.62 | Joback Calculated Property |
| Cp,gas | 1607.08 | J/mol×K | 1162.23 | Joback Calculated Property |
| Cp,gas | 1642.23 | J/mol×K | 1198.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Pregnane-3«alpha»,20«alpha»-diol, bis(pentafluoropropionate).
Sources
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