- InChI
- InChI=1S/C21H30O3/c1-21-10-9-16-15-8-6-14(22-2)11-13(15)5-7-17(16)18(21)12-19(23-3)20(21)24-4/h6,8,11,16-20H,5,7,9-10,12H2,1-4H3
- InChI Key
- QIOWNWWZXNWWMP-UHFFFAOYSA-N
- Formula
- C21H30O3
- SMILES
-
COc1ccc2c(c1)CCC1C2CCC2(C)C1CC
(OC)C2OC - Molecular Weight1
- 330.46
- Other Names
-
- (16«alpha»,17«beta»)-3,16,17-Trimethoxyestra-1(10),2,4-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).
- 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° | 33.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.17 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 4.191 | Crippen Calculated Property | |
| McVol | 268.020 | ml/mol | McGowan Calculated Property |
| Pc | 1481.57 | kPa | Joback Calculated Property |
| Inp | 2698.20 | NIST | |
| Tboil | 798.77 | K | Joback Calculated Property |
| Tc | 1024.65 | K | Joback Calculated Property |
| Tfus | 502.54 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [888.83; 1016.66] | J/mol×K | [798.77; 1024.65] | 
|
| Cp,gas | 888.83 | J/mol×K | 798.77 | Joback Calculated Property |
| Cp,gas | 912.14 | J/mol×K | 836.42 | Joback Calculated Property |
| Cp,gas | 934.44 | J/mol×K | 874.06 | Joback Calculated Property |
| Cp,gas | 955.88 | J/mol×K | 911.71 | Joback Calculated Property |
| Cp,gas | 976.62 | J/mol×K | 949.35 | Joback Calculated Property |
| Cp,gas | 996.83 | J/mol×K | 987.00 | Joback Calculated Property |
| Cp,gas | 1016.66 | J/mol×K | 1024.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estriol, trimethyl ether.
Sources
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