- InChI
- InChI=1S/C23H31F3O3/c1-13(27)17-6-7-18-16-5-4-14-12-15(29-20(28)23(24,25)26)8-10-21(14,2)19(16)9-11-22(17,18)3/h4,15-19H,5-12H2,1-3H3
- InChI Key
- XMFYUFNYYIKKQW-UHFFFAOYSA-N
- Formula
- C23H31F3O3
- SMILES
-
CC(=O)C1CCC2C3CC=C4CC(OC(=O)C(
F)(F)F)CCC4(C)C3CCC12C - Molecular Weight1
- 412.49
- 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).
- 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° | -632.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1196.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.18 | kJ/mol | Joback Calculated Property |
| log10WS | -6.35 | Crippen Calculated Property | |
| logPoct/wat | 5.628 | Crippen Calculated Property | |
| McVol | 301.510 | ml/mol | McGowan Calculated Property |
| Pc | 1297.66 | kPa | Joback Calculated Property |
| Tboil | 889.30 | K | Joback Calculated Property |
| Tc | 1113.79 | K | Joback Calculated Property |
| Tfus | 577.77 | K | Joback Calculated Property |
| Vc | 1.163 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1079.05; 1236.87] | J/mol×K | [889.30; 1113.79] | 
|
| Cp,gas | 1079.05 | J/mol×K | 889.30 | Joback Calculated Property |
| Cp,gas | 1103.88 | J/mol×K | 926.71 | Joback Calculated Property |
| Cp,gas | 1128.87 | J/mol×K | 964.13 | Joback Calculated Property |
| Cp,gas | 1154.35 | J/mol×K | 1001.54 | Joback Calculated Property |
| Cp,gas | 1180.62 | J/mol×K | 1038.96 | Joback Calculated Property |
| Cp,gas | 1208.03 | J/mol×K | 1076.37 | Joback Calculated Property |
| Cp,gas | 1236.87 | J/mol×K | 1113.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Pregnen-3«beta»-ol-20-one, trifluoroacetate.
Sources
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