![Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3«beta»,17«beta»)-](/cid/97-282-2/Androst-5-en-16-one-3-17-bis-trifluoroacetyl-oxy-3-beta-17-beta.png "Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3«beta»,17«beta»)-")
- InChI
- InChI=1S/C23H26F6O5/c1-20-7-5-12(33-18(31)22(24,25)26)9-11(20)3-4-13-14(20)6-8-21(2)15(13)10-16(30)17(21)34-19(32)23(27,28)29/h3,12-15,17H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,20-,21-/m1/s1
- InChI Key
- CTNWZUBGEFFWGH-VPPKIAQMSA-N
- Formula
- C23H26F6O5
- SMILES
-
CC12CCC(OC(=O)C(F)(F)F)CC1=CCC
1C2CCC2(C)C(OC(=O)C(F)(F)F)C(= O)CC12 - Molecular Weight1
- 496.44
- CAS
- 56438-14-3
- Other Names
-
- Androst-5-ene-3«beta»,17«beta»-diol-16-one, TFA
- 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° | -1442.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2063.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.09 | kJ/mol | Joback Calculated Property |
| log10WS | -6.23 | Crippen Calculated Property | |
| logPoct/wat | 5.076 | Crippen Calculated Property | |
| McVol | 314.260 | ml/mol | McGowan Calculated Property |
| Pc | 1210.67 | kPa | Joback Calculated Property |
| Tboil | 974.12 | K | Joback Calculated Property |
| Tc | 1200.73 | K | Joback Calculated Property |
| Tfus | 672.41 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1176.88; 1338.80] | J/mol×K | [974.12; 1200.73] | 
|
| Cp,gas | 1176.88 | J/mol×K | 974.12 | Joback Calculated Property |
| Cp,gas | 1201.34 | J/mol×K | 1011.89 | Joback Calculated Property |
| Cp,gas | 1226.41 | J/mol×K | 1049.66 | Joback Calculated Property |
| Cp,gas | 1252.39 | J/mol×K | 1087.43 | Joback Calculated Property |
| Cp,gas | 1279.57 | J/mol×K | 1125.20 | Joback Calculated Property |
| Cp,gas | 1308.28 | J/mol×K | 1162.96 | Joback Calculated Property |
| Cp,gas | 1338.80 | J/mol×K | 1200.73 | Joback Calculated Property |
Similar Compounds
Sources
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