- InChI
- InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13-,14?,15-,16?,17?,18+/m0/s1
- InChI Key
- GRXPVLPQNMUNNX-SNMURISASA-N
- Formula
- C18H30
- SMILES
- CC12CCCC1C1CCC3CCCCC3C1CC2
- Molecular Weight1
- 246.43
- 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° | 262.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -179.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 5.419 | Crippen Calculated Property | |
| McVol | 221.040 | ml/mol | McGowan Calculated Property |
| Pc | 1854.71 | kPa | Joback Calculated Property |
| Inp | [1875.00; 1880.00] |
|
|
| Inp | 1875.00 | NIST | |
| Inp | 1880.00 | NIST | |
| Tboil | 650.45 | K | Joback Calculated Property |
| Tc | 890.00 | K | Joback Calculated Property |
| Tfus | 362.20 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.72; 837.50] | J/mol×K | [650.45; 890.00] |
|
| Cp,gas | 686.72 | J/mol×K | 650.45 | Joback Calculated Property |
| Cp,gas | 715.69 | J/mol×K | 690.38 | Joback Calculated Property |
| Cp,gas | 742.77 | J/mol×K | 730.30 | Joback Calculated Property |
| Cp,gas | 768.23 | J/mol×K | 770.23 | Joback Calculated Property |
| Cp,gas | 792.33 | J/mol×K | 810.15 | Joback Calculated Property |
| Cp,gas | 815.33 | J/mol×K | 850.08 | Joback Calculated Property |
| Cp,gas | 837.50 | J/mol×K | 890.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Oestrane.
Sources
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