- InChI
- InChI=1S/C18H28O2/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h11-15,17,20H,2-10H2,1H3/t11?,12?,13?,14-,15?,17-,18?/m1/s1
- InChI Key
- LJZJXYCOLLINLR-RYYDINKKSA-N
- Formula
- C18H28O2
- SMILES
-
CC12CCC3C4CCCC(=O)C4CCC3C1CCC2
O - Molecular Weight1
- 276.41
- 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° | -4.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 3.569 | Crippen Calculated Property | |
| McVol | 228.480 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Inp | [2510.00; 2510.00] |
|
|
| Inp | 2510.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Tboil | 805.78 | K | Joback Calculated Property |
| Tc | 1036.50 | K | Joback Calculated Property |
| Tfus | 487.00 | K | Joback Calculated Property |
| Vc | 0.853 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.75; 939.69] | J/mol×K | [805.78; 1036.50] |
|
| Cp,gas | 813.75 | J/mol×K | 805.78 | Joback Calculated Property |
| Cp,gas | 836.59 | J/mol×K | 844.23 | Joback Calculated Property |
| Cp,gas | 858.43 | J/mol×K | 882.69 | Joback Calculated Property |
| Cp,gas | 879.47 | J/mol×K | 921.14 | Joback Calculated Property |
| Cp,gas | 899.90 | J/mol×K | 959.59 | Joback Calculated Property |
| Cp,gas | 919.91 | J/mol×K | 998.05 | Joback Calculated Property |
| Cp,gas | 939.69 | J/mol×K | 1036.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estran-4-on-17B-ol.
Sources
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