- InChI
- InChI=1S/C20H28O2/c1-20-11-10-16-15-7-5-14(21-2)12-13(15)4-6-17(16)18(20)8-9-19(20)22-3/h5,7,12,16-19H,4,6,8-11H2,1-3H3
- InChI Key
- UJVDXOJUUSHVJY-UHFFFAOYSA-N
- Formula
- C20H28O2
- SMILES
-
COc1ccc2c(c1)CCC1C2CCC2(C)C(OC
)CCC12 - Molecular Weight1
- 300.44
- CAS
- 4954-14-7
- Other Names
-
- Estra-1,3,5(10)-triene, 3,17-dimethoxy-, (17«beta»)-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5593 | Relay (... Calculated Property | |
| ΔfG° | 137.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.13 | kJ/mol | Relay (... Calculated Property |
| IE | 7.89 | eV | Relay (... Calculated Property |
| log10WS | -5.32 | Relay (... Calculated Property | |
| logPoct/wat | 4.566 | Crippen Calculated Property | |
| McVol | 248.060 | ml/mol | McGowan Calculated Property |
| Pc | 1663.26 | kPa | Joback Calculated Property |
| Inp | 2580.40 | NIST | |
| Tboil | 660.79 | K | Relay (... Calculated Property |
| Tc | 915.88 | K | Relay (... Calculated Property |
| Tfus | 371.78 | K | Relay (... Calculated Property |
| Vc | 0.885 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.40; 921.91] | J/mol×K | [758.14; 990.15] | 
|
| Cp,gas | 794.40 | J/mol×K | 758.14 | Joback Calculated Property |
| Cp,gas | 817.68 | J/mol×K | 796.81 | Joback Calculated Property |
| Cp,gas | 839.89 | J/mol×K | 835.48 | Joback Calculated Property |
| Cp,gas | 861.21 | J/mol×K | 874.14 | Joback Calculated Property |
| Cp,gas | 881.86 | J/mol×K | 912.81 | Joback Calculated Property |
| Cp,gas | 902.03 | J/mol×K | 951.48 | Joback Calculated Property |
| Cp,gas | 921.91 | J/mol×K | 990.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to .beta.-Estradiol, dimethyl ether.
Sources
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