- InChI
- InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m0/s1
- InChI Key
- PROQIPRRNZUXQM-KHHDSSOXSA-N
- Formula
- C18H24O3
- SMILES
-
CC12CCC3c4ccc(O)cc4CCC3C1CC(O)
C2O - Molecular Weight1
- 288.38
- CAS
- 547-81-9
- Other Names
-
- Estra-1,3,5(10)-triene-3,16,17-triol, (16«beta»,17«beta»)-
- Actriol
- Estra-1,3,5(10)-triene-3,16«beta»,17«beta»-triol
- Estriol (3,16«beta»,17«beta»)
- 16«beta»-Hydroxyestradiol
- 16«beta»,17«beta»-Estriol
- 16-epi-Estriol
- 16-Epiestratriol
- 3,16«beta»,17«beta»-Estriol
- Epioestriol
- Estra-1,3,5(10)-triene-3,16beta,17beta-triol
- 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).
- 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° | -95.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 2.580 | Crippen Calculated Property | |
| McVol | 225.750 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Tboil | 922.87 | K | Joback Calculated Property |
| Tc | 1147.96 | K | Joback Calculated Property |
| Tfus | 622.88 | K | Joback Calculated Property |
| Vc | 0.789 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.84; 942.13] | J/mol×K | [922.87; 1147.96] | 
|
| Cp,gas | 816.84 | J/mol×K | 922.87 | Joback Calculated Property |
| Cp,gas | 835.77 | J/mol×K | 960.38 | Joback Calculated Property |
| Cp,gas | 855.14 | J/mol×K | 997.90 | Joback Calculated Property |
| Cp,gas | 875.20 | J/mol×K | 1035.41 | Joback Calculated Property |
| Cp,gas | 896.22 | J/mol×K | 1072.93 | Joback Calculated Property |
| Cp,gas | 918.44 | J/mol×K | 1110.44 | Joback Calculated Property |
| Cp,gas | 942.13 | J/mol×K | 1147.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Epiestriol.
Sources
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