- InChI
- InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17-,18+/m0/s1
- InChI Key
- MUENRDYXOADTOC-IECFSIQFSA-N
- Formula
- C18H24O
- SMILES
- CC12CCC3c4ccccc4CCC3C1CCC2O
- Molecular Weight1
- 256.38
- 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° | 203.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 214.010 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [2190.00; 2265.00] |
|
|
| Inp | 2190.00 | NIST | |
| Inp | 2265.00 | NIST | |
| Tboil | 754.74 | K | Joback Calculated Property |
| Tc | 982.16 | K | Joback Calculated Property |
| Tfus | 454.58 | K | Joback Calculated Property |
| Vc | 0.805 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.46; 799.93] | J/mol×K | [754.74; 982.16] |
|
| Cp,gas | 688.46 | J/mol×K | 754.74 | Joback Calculated Property |
| Cp,gas | 708.37 | J/mol×K | 792.64 | Joback Calculated Property |
| Cp,gas | 727.45 | J/mol×K | 830.55 | Joback Calculated Property |
| Cp,gas | 745.92 | J/mol×K | 868.45 | Joback Calculated Property |
| Cp,gas | 764.01 | J/mol×K | 906.35 | Joback Calculated Property |
| Cp,gas | 781.94 | J/mol×K | 944.26 | Joback Calculated Property |
| Cp,gas | 799.93 | J/mol×K | 982.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5(10)-Oestratrien-17«alpha»-ol.
Sources
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