- InChI
- InChI=1S/C19H29FO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-16(21)15(20)10-19(11,14)2/h11-15,17,22H,3-10H2,1-2H3
- InChI Key
- QBAHMYSNLVHPJQ-UHFFFAOYSA-N
- Formula
- C19H29FO2
- SMILES
-
CC12CCC3C(CCC4CC(=O)C(F)CC43C)
C1CCC2O - Molecular Weight1
- 308.43
- CAS
- 1649-46-3
- 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).
- 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 | 0.5694 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.907 | Crippen Calculated Property | |
| McVol | 244.340 | ml/mol | McGowan Calculated Property |
| Pc | 1800.03 | kPa | Joback Calculated Property |
| Tboil | 635.73 | K | Relay (1.0) Calculated Property |
| Tc | 934.89 | K | Relay (1.0) Calculated Property |
| Tfus | 492.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.882 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.88; 1026.59] | J/mol×K | [823.50; 1049.41] | 
|
| Cp,gas | 880.88 | J/mol×K | 823.50 | Joback Calculated Property |
| Cp,gas | 905.06 | J/mol×K | 861.15 | Joback Calculated Property |
| Cp,gas | 928.93 | J/mol×K | 898.80 | Joback Calculated Property |
| Cp,gas | 952.74 | J/mol×K | 936.45 | Joback Calculated Property |
| Cp,gas | 976.77 | J/mol×K | 974.10 | Joback Calculated Property |
| Cp,gas | 1001.30 | J/mol×K | 1011.76 | Joback Calculated Property |
| Cp,gas | 1026.59 | J/mol×K | 1049.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2Alpha-fluoro-17beta-hydroxy-5alpha-androstan-3-one.
Sources
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