- InChI
- InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15?,16?,17?,18?,19-/m1/s1
- InChI Key
- JXQJDYXWHSVOEF-PHDXLQKJSA-N
- Formula
- C19H26O2
- SMILES
-
CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC
21C - Molecular Weight1
- 286.41
- CAS
- 302-76-1
- Other Names
-
- Estra-1,3,5(10)-triene-3,17«beta»-diol, 17-methyl-
- Methylestradiol
- 17«alpha»-Methylestradiol
- 17-Methylestradiol
- 17-«alpha»-methyloestradiol-17-beta
- 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° | 52.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 3.999 | Crippen Calculated Property | |
| McVol | 233.970 | ml/mol | McGowan Calculated Property |
| Pc | 2448.32 | kPa | Joback Calculated Property |
| Tboil | 858.48 | K | Joback Calculated Property |
| Tc | 1096.31 | K | Joback Calculated Property |
| Tfus | 601.47 | K | Joback Calculated Property |
| Vc | 0.826 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.91; 960.77] | J/mol×K | [858.48; 1096.31] | 
|
| Cp,gas | 804.91 | J/mol×K | 858.48 | Joback Calculated Property |
| Cp,gas | 827.29 | J/mol×K | 898.12 | Joback Calculated Property |
| Cp,gas | 850.54 | J/mol×K | 937.76 | Joback Calculated Property |
| Cp,gas | 875.09 | J/mol×K | 977.40 | Joback Calculated Property |
| Cp,gas | 901.36 | J/mol×K | 1017.04 | Joback Calculated Property |
| Cp,gas | 929.78 | J/mol×K | 1056.67 | Joback Calculated Property |
| Cp,gas | 960.77 | J/mol×K | 1096.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17«beta»)-.
Sources
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