- InChI
- InChI=1S/C24H33F3O3/c1-13-11-19-17-6-5-15-12-16(30-21(29)24(25,26)27)7-9-22(15,3)18(17)8-10-23(19,4)20(13)14(2)28/h5,13,16-20H,6-12H2,1-4H3/t13-,16+,17?,18?,19?,20-,22+,23+/m0/s1
- InChI Key
- QUUCZLZUBSTNFM-FIVICNPVSA-N
- Formula
- C24H33F3O3
- SMILES
-
CC(=O)C1C(C)CC2C3CC=C4CC(OC(=O
)C(F)(F)F)CCC4(C)C3CCC21C - Molecular Weight1
- 426.51
- 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° | -632.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1237.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.10 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 5.875 | Crippen Calculated Property | |
| McVol | 315.600 | ml/mol | McGowan Calculated Property |
| Pc | 1184.97 | kPa | Joback Calculated Property |
| Inp | [2584.00; 2584.00] |
|
|
| Inp | 2584.00 | NIST | |
| Inp | 2584.00 | NIST | |
| Tboil | 907.51 | K | Joback Calculated Property |
| Tc | 1130.72 | K | Joback Calculated Property |
| Tfus | 584.80 | K | Joback Calculated Property |
| Vc | 1.218 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1146.99; 1310.70] | J/mol×K | [907.51; 1130.72] |
|
| Cp,gas | 1146.99 | J/mol×K | 907.51 | Joback Calculated Property |
| Cp,gas | 1172.77 | J/mol×K | 944.71 | Joback Calculated Property |
| Cp,gas | 1198.74 | J/mol×K | 981.91 | Joback Calculated Property |
| Cp,gas | 1225.21 | J/mol×K | 1019.11 | Joback Calculated Property |
| Cp,gas | 1252.49 | J/mol×K | 1056.31 | Joback Calculated Property |
| Cp,gas | 1280.88 | J/mol×K | 1093.52 | Joback Calculated Property |
| Cp,gas | 1310.70 | J/mol×K | 1130.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16«alpha»-Methylpregnenolone, TFA.
Sources
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