- InChI
- InChI=1S/C20H27ClO3/c1-11(22)24-18-8-6-16-14-3-4-15-12(5-7-17(23)19(15)21)13(14)9-10-20(16,18)2/h12-14,16,18H,3-10H2,1-2H3
- InChI Key
- FNMAFGQVNCRKGS-UHFFFAOYSA-N
- Formula
- C20H27ClO3
- SMILES
-
CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)
CCC4C3CCC12C - Molecular Weight1
- 350.88
- CAS
- 1164-99-4
- Other Names
-
- 4-chloro-17«beta»-hydroxyestr-4-en-3-one 17-acetate
- 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° | -78.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.26 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 4.626 | Crippen Calculated Property | |
| McVol | 266.170 | ml/mol | McGowan Calculated Property |
| Pc | 1647.09 | kPa | Joback Calculated Property |
| Tboil | 886.87 | K | Joback Calculated Property |
| Tc | 1134.23 | K | Joback Calculated Property |
| Tfus | 580.84 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [917.22; 1044.47] | J/mol×K | [886.87; 1134.23] | 
|
| Cp,gas | 917.22 | J/mol×K | 886.87 | Joback Calculated Property |
| Cp,gas | 939.72 | J/mol×K | 928.10 | Joback Calculated Property |
| Cp,gas | 961.43 | J/mol×K | 969.32 | Joback Calculated Property |
| Cp,gas | 982.54 | J/mol×K | 1010.55 | Joback Calculated Property |
| Cp,gas | 1003.28 | J/mol×K | 1051.78 | Joback Calculated Property |
| Cp,gas | 1023.85 | J/mol×K | 1093.01 | Joback Calculated Property |
| Cp,gas | 1044.47 | J/mol×K | 1134.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 19-Nortestosterone, 4-chloro-, acetate.
Sources
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