- InChI
- InChI=1S/C19H27ClO2/c1-18-9-7-12-11-5-6-16(21)17(20)14(11)4-3-13(12)15(18)8-10-19(18,2)22/h11-13,15,22H,3-10H2,1-2H3
- InChI Key
- KLBQJNJDOQGAFJ-UHFFFAOYSA-N
- Formula
- C19H27ClO2
- SMILES
-
CC1(O)CCC2C3CCC4=C(Cl)C(=O)CCC
4C3CCC21C - Molecular Weight1
- 322.87
- CAS
- 3415-90-5
- 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° | 4.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.30 | Crippen Calculated Property | |
| logPoct/wat | 4.446 | Crippen Calculated Property | |
| McVol | 250.510 | ml/mol | McGowan Calculated Property |
| Pc | 1928.74 | kPa | Joback Calculated Property |
| Tboil | 880.12 | K | Joback Calculated Property |
| Tc | 1119.74 | K | Joback Calculated Property |
| Tfus | 582.13 | K | Joback Calculated Property |
| Vc | 0.943 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [871.10; 1025.96] | J/mol×K | [880.12; 1119.74] | 
|
| Cp,gas | 871.10 | J/mol×K | 880.12 | Joback Calculated Property |
| Cp,gas | 894.96 | J/mol×K | 920.06 | Joback Calculated Property |
| Cp,gas | 919.16 | J/mol×K | 959.99 | Joback Calculated Property |
| Cp,gas | 944.02 | J/mol×K | 999.93 | Joback Calculated Property |
| Cp,gas | 969.90 | J/mol×K | 1039.86 | Joback Calculated Property |
| Cp,gas | 997.10 | J/mol×K | 1079.80 | Joback Calculated Property |
| Cp,gas | 1025.96 | J/mol×K | 1119.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-17alpha-methyl-19-nortestosterone.
Sources
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