- InChI
- InChI=1S/C22H29F5O3/c1-19-9-7-13(30-18(29)21(23,24)22(25,26)27)11-12(19)3-4-14-15-5-6-17(28)20(15,2)10-8-16(14)19/h12-16H,3-11H2,1-2H3
- InChI Key
- MDOSQUKLWNVMRK-UHFFFAOYSA-N
- Formula
- C22H29F5O3
- SMILES
-
CC12CCC3C(CCC4CC(OC(=O)C(F)(F)
C(F)(F)F)CCC43C)C1CCC2=O - Molecular Weight1
- 436.46
- 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° | -1042.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1648.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.58 | kJ/mol | Joback Calculated Property |
| log10WS | -6.39 | Crippen Calculated Property | |
| logPoct/wat | 5.708 | Crippen Calculated Property | |
| McVol | 295.260 | ml/mol | McGowan Calculated Property |
| Pc | 1275.51 | kPa | Joback Calculated Property |
| Inp | [2481.60; 2481.60] |
|
|
| Inp | 2481.60 | NIST | |
| Inp | 2481.60 | NIST | |
| Tboil | 871.54 | K | Joback Calculated Property |
| Tc | 1094.33 | K | Joback Calculated Property |
| Tfus | 575.11 | K | Joback Calculated Property |
| Vc | 1.147 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1077.09; 1228.26] | J/mol×K | [871.54; 1094.33] |
|
| Cp,gas | 1077.09 | J/mol×K | 871.54 | Joback Calculated Property |
| Cp,gas | 1101.49 | J/mol×K | 908.67 | Joback Calculated Property |
| Cp,gas | 1125.80 | J/mol×K | 945.80 | Joback Calculated Property |
| Cp,gas | 1150.32 | J/mol×K | 982.93 | Joback Calculated Property |
| Cp,gas | 1175.37 | J/mol×K | 1020.07 | Joback Calculated Property |
| Cp,gas | 1201.25 | J/mol×K | 1057.20 | Joback Calculated Property |
| Cp,gas | 1228.26 | J/mol×K | 1094.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Androsterone, pentafluoropropionate.
Sources
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