- InChI
- InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3
- InChI Key
- VQHQLBARMFAKSV-UHFFFAOYSA-N
- Formula
- C22H28O4
- SMILES
-
CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C
)C(OC(C)=O)CCC12 - Molecular Weight1
- 356.46
- CAS
- 3434-88-6
- Other Names
-
- Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, diacetate
- «beta»-Estradiol diacetate
- Estradiol-3,17«beta»-diacetate
- Estradiol-3,17-diacetate
- 17«beta»-Estradiol diacetate
- 3,17«beta»-Diacetoxyestra-1,3,5(10)-triene
- 17«beta»-(Acetyloxy)estra-1,3,5(10)-trien-3-yl acetate
- 3,17«beta»-di(Acetyloxy)estra-1,3,5(10)-triene
- Estra-1,3,5(10)-triene-3,17«beta»-diol diacetate
- NSC 106559
- 3,17Beta-diacetoxyestra-1,3,5(10)-triene
- 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° | -103.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.79 | kJ/mol | Joback Calculated Property |
| log10WS | -5.47 | Crippen Calculated Property | |
| logPoct/wat | 4.400 | Crippen Calculated Property | |
| McVol | 279.380 | ml/mol | McGowan Calculated Property |
| Pc | 1577.21 | kPa | Joback Calculated Property |
| Tboil | 911.64 | K | Joback Calculated Property |
| Tc | 1147.76 | K | Joback Calculated Property |
| Tfus | 595.68 | K | Joback Calculated Property |
| Vc | 1.058 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [961.30; 1085.50] | J/mol×K | [911.64; 1147.76] | 
|
| Cp,gas | 961.30 | J/mol×K | 911.64 | Joback Calculated Property |
| Cp,gas | 982.46 | J/mol×K | 950.99 | Joback Calculated Property |
| Cp,gas | 1003.15 | J/mol×K | 990.35 | Joback Calculated Property |
| Cp,gas | 1023.59 | J/mol×K | 1029.70 | Joback Calculated Property |
| Cp,gas | 1043.99 | J/mol×K | 1069.05 | Joback Calculated Property |
| Cp,gas | 1064.55 | J/mol×K | 1108.41 | Joback Calculated Property |
| Cp,gas | 1085.50 | J/mol×K | 1147.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estradiol, diacetate.
Sources
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