- InChI
- InChI=1S/C25H29F7O4/c1-13(33)35-19-7-6-17-16-5-4-14-12-15(8-10-21(14,2)18(16)9-11-22(17,19)3)36-20(34)23(26,27)24(28,29)25(30,31)32/h8,12,16-19H,4-7,9-11H2,1-3H3/t16-,17-,18-,19-,21-,22-/m1/s1
- InChI Key
- NTZWSZQHFGGWDX-OYSQMQRMSA-N
- Formula
- C25H29F7O4
- SMILES
-
CC(=O)OC1CCC2C3CCC4=CC(OC(=O)C
(F)(F)C(F)(F)C(F)(F)F)=CCC4(C) C3CCC12C - Molecular Weight1
- 526.48
- CAS
- 49566-69-0
- Other Names
-
- 17-(Acetyloxy)androsta-2,4-dien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate, (17«beta»)-
- Testosterone, 3-HFB, 17«beta»-Ac
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6873 | Relay (... Calculated Property | |
| ΔfG° | -1466.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2237.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.73 | kJ/mol | Relay (... Calculated Property |
| IE | 8.69 | eV | Relay (... Calculated Property |
| log10WS | -7.38 | Relay (... Calculated Property | |
| logPoct/wat | 6.751 | Crippen Calculated Property | |
| McVol | 338.340 | ml/mol | McGowan Calculated Property |
| Pc | 1058.95 | kPa | Joback Calculated Property |
| Inp | 2566.00 | NIST | |
| Tboil | 652.32 | K | Relay (... Calculated Property |
| Tc | 884.80 | K | Relay (... Calculated Property |
| Tfus | 372.62 | K | Relay (... Calculated Property |
| Vc | 1.240 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1236.02; 1403.62] | J/mol×K | [956.91; 1176.82] | 
|
| Cp,gas | 1236.02 | J/mol×K | 956.91 | Joback Calculated Property |
| Cp,gas | 1260.76 | J/mol×K | 993.56 | Joback Calculated Property |
| Cp,gas | 1286.32 | J/mol×K | 1030.21 | Joback Calculated Property |
| Cp,gas | 1313.04 | J/mol×K | 1066.86 | Joback Calculated Property |
| Cp,gas | 1341.27 | J/mol×K | 1103.51 | Joback Calculated Property |
| Cp,gas | 1371.35 | J/mol×K | 1140.17 | Joback Calculated Property |
| Cp,gas | 1403.62 | J/mol×K | 1176.82 | Joback Calculated Property |
Similar Compounds
Sources
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