- InChI
- InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3
- InChI Key
- ULAADVBNYHGIBP-UHFFFAOYSA-N
- Formula
- C19H26O2
- SMILES
-
COc1ccc2c(c1)CCC1C2CCC2(C)C(O)
CCC12 - Molecular Weight1
- 286.41
- CAS
- 1035-77-4
- Other Names
-
- Estra-1,3,5(10)-trien-17«beta»-ol, 3-methoxy-
- Estradiol 3-methyl ether
- 17«beta»-Estradiol 3-methyl ether
- 3-Methoxy-estra-1,3,5(10)-triene-17-«beta»-ol
- 3-Methoxyestra-1,3,5(10)-trien-17-«beta»-ol
- 3-Methoxyoestradiol
- Oestradiol 3-methyl ether
- Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17beta)-
- Estra-1,3,5(10)-trien-17beta-ol, 3-methoxy-
- 17beta-Estradiol 3-methyl ether
- 3-Methoxyestradiol
- 3-O-Methylestradiol
- 17«beta»-Hydroxy-3-methoxyestra-1,3,5(10)-triene
- «beta»-Estradiol, 3-methyl ether
- (17«beta»)-3-Methoxyestra-1(10),2,4-trien-17-ol
- 3-Methoxyoestra-1,3,5(10)-trien-17«beta»-ol
- NSC 58851
- 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° | 97.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 3.912 | Crippen Calculated Property | |
| McVol | 233.970 | ml/mol | McGowan Calculated Property |
| Pc | 1980.59 | kPa | Joback Calculated Property |
| Inp | 2656.60 | NIST | |
| Tboil | 805.02 | K | Joback Calculated Property |
| Tc | 1027.66 | K | Joback Calculated Property |
| Tfus | 500.60 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.05; 889.38] | J/mol×K | [805.02; 1027.66] | 
|
| Cp,gas | 776.05 | J/mol×K | 805.02 | Joback Calculated Property |
| Cp,gas | 795.92 | J/mol×K | 842.13 | Joback Calculated Property |
| Cp,gas | 815.15 | J/mol×K | 879.23 | Joback Calculated Property |
| Cp,gas | 833.91 | J/mol×K | 916.34 | Joback Calculated Property |
| Cp,gas | 852.41 | J/mol×K | 953.45 | Joback Calculated Property |
| Cp,gas | 870.84 | J/mol×K | 990.55 | Joback Calculated Property |
| Cp,gas | 889.38 | J/mol×K | 1027.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-.
Sources
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