- InChI
- InChI=1S/C19H24O2/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/h4,6,11,15-17H,3,5,7-10H2,1-2H3
- InChI Key
- BCWWDWHFBMPLFQ-UHFFFAOYSA-N
- Formula
- C19H24O2
- SMILES
-
COc1ccc2c(c1)CCC1C2CCC2(C)C(=O
)CCC12 - Molecular Weight1
- 284.39
- CAS
- 1624-62-0
- Other Names
-
- Estrone methyl ether
- Estrone 3-methyl ether
- Oestrone methyl ether
- 3-Methoxyestra-1,3,5(10)-trien-17-one
- 3-Methoxyestrone
- 3-Methoxyoestra-1,3,5(10)-trien-17-one
- 3-O-Methylestrone
- NSC 88911
- 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° | 119.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 4.120 | Crippen Calculated Property | |
| McVol | 229.670 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | [2634.80; 2634.80] |
|
|
| Inp | 2634.80 | NIST | |
| Inp | 2634.80 | NIST | |
| Tboil | 785.33 | K | Joback Calculated Property |
| Tc | 1034.93 | K | Joback Calculated Property |
| Tfus | 512.24 | K | Joback Calculated Property |
| Vc | 0.869 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.56; 866.01] | J/mol×K | [785.33; 1034.93] |
|
| Cp,gas | 741.56 | J/mol×K | 785.33 | Joback Calculated Property |
| Cp,gas | 763.96 | J/mol×K | 826.93 | Joback Calculated Property |
| Cp,gas | 785.39 | J/mol×K | 868.53 | Joback Calculated Property |
| Cp,gas | 806.08 | J/mol×K | 910.13 | Joback Calculated Property |
| Cp,gas | 826.26 | J/mol×K | 951.73 | Joback Calculated Property |
| Cp,gas | 846.16 | J/mol×K | 993.33 | Joback Calculated Property |
| Cp,gas | 866.01 | J/mol×K | 1034.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estra-1,3,5(10)-trien-17-one, 3-methoxy-.
Sources
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