- InChI
- InChI=1S/C21H31ClO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3
- InChI Key
- OIDXWRLKJLJKRZ-UHFFFAOYSA-N
- Formula
- C21H31ClO
- SMILES
-
CC(=O)C1CCC2C3CC=C4CC(Cl)CCC4(
C)C3CCC12C - Molecular Weight1
- 334.92
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 153.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.71 | kJ/mol | Joback Calculated Property |
| log10WS | -6.14 | Crippen Calculated Property | |
| logPoct/wat | 5.762 | Crippen Calculated Property | |
| McVol | 272.820 | ml/mol | McGowan Calculated Property |
| Pc | 1536.66 | kPa | Joback Calculated Property |
| Inp | [2388.00; 2388.00] |
|
|
| Inp | 2388.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Tboil | 810.10 | K | Joback Calculated Property |
| Tc | 1054.14 | K | Joback Calculated Property |
| Tfus | 508.80 | K | Joback Calculated Property |
| Vc | 1.034 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [905.36; 1065.96] | J/mol×K | [810.10; 1054.14] |
|
| Cp,gas | 905.36 | J/mol×K | 810.10 | Joback Calculated Property |
| Cp,gas | 931.60 | J/mol×K | 850.77 | Joback Calculated Property |
| Cp,gas | 957.52 | J/mol×K | 891.45 | Joback Calculated Property |
| Cp,gas | 983.52 | J/mol×K | 932.12 | Joback Calculated Property |
| Cp,gas | 1010.00 | J/mol×K | 972.79 | Joback Calculated Property |
| Cp,gas | 1037.35 | J/mol×K | 1013.47 | Joback Calculated Property |
| Cp,gas | 1065.96 | J/mol×K | 1054.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Pregnen-3-chloro-20-one.
Sources
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