- InChI
- InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m0/s1
- InChI Key
- HJKVPZJVBHWFCQ-WNRNVDISSA-N
- Formula
- C18H24O
- SMILES
- CC12CCCC1C1CCc3cc(O)ccc3C1CC2
- Molecular Weight1
- 256.38
- CAS
- 53-63-4
- Other Names
-
- Estrone, 17-deoxy-
- 17-Deoxyestrone
- 17-Desoxyestradiol
- 3-Hydroxyestra-1,3,5(10)-triene
- 17-Deoxyestradiol
- 17-Deoxyoestrone
- OESTRA-1,3,5(10)-TRIEN-3-OL
- 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° | 193.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 4.638 | Crippen Calculated Property | |
| McVol | 214.010 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Inp | 2286.00 | NIST | |
| Tboil | 747.85 | K | Joback Calculated Property |
| Tc | 1002.48 | K | Joback Calculated Property |
| Tfus | 509.72 | K | Joback Calculated Property |
| Vc | 0.753 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [680.59; 806.88] | J/mol×K | [747.85; 1002.48] | 
|
| Cp,gas | 680.59 | J/mol×K | 747.85 | Joback Calculated Property |
| Cp,gas | 702.32 | J/mol×K | 790.29 | Joback Calculated Property |
| Cp,gas | 723.25 | J/mol×K | 832.73 | Joback Calculated Property |
| Cp,gas | 743.79 | J/mol×K | 875.17 | Joback Calculated Property |
| Cp,gas | 764.31 | J/mol×K | 917.61 | Joback Calculated Property |
| Cp,gas | 785.21 | J/mol×K | 960.04 | Joback Calculated Property |
| Cp,gas | 806.88 | J/mol×K | 1002.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estra-1,3,5(10)-trien-3-ol.
Sources
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