- InChI
- InChI=1S/C19H24O3/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(20)22-19/h4,6,11,15-17H,3,5,7-10H2,1-2H3
- InChI Key
- INHMMEWBTMZXLR-UHFFFAOYSA-N
- Formula
- C19H24O3
- SMILES
-
COc1ccc2c(c1)CCC1C2CCC2(C)OC(=
O)CCC12 - Molecular Weight1
- 300.39
- CAS
- 64945-54-6
- 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° | 21.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.45 | kJ/mol | Joback Calculated Property |
| log10WS | -4.68 | Crippen Calculated Property | |
| logPoct/wat | 3.847 | Crippen Calculated Property | |
| McVol | 235.540 | ml/mol | McGowan Calculated Property |
| Pc | 1966.56 | kPa | Joback Calculated Property |
| Tboil | 816.55 | K | Joback Calculated Property |
| Tc | 1069.56 | K | Joback Calculated Property |
| Tfus | 535.29 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.57; 903.12] | J/mol×K | [816.55; 1069.56] | 
|
| Cp,gas | 779.57 | J/mol×K | 816.55 | Joback Calculated Property |
| Cp,gas | 801.82 | J/mol×K | 858.72 | Joback Calculated Property |
| Cp,gas | 823.10 | J/mol×K | 900.89 | Joback Calculated Property |
| Cp,gas | 843.66 | J/mol×K | 943.05 | Joback Calculated Property |
| Cp,gas | 863.70 | J/mol×K | 985.22 | Joback Calculated Property |
| Cp,gas | 883.45 | J/mol×K | 1027.39 | Joback Calculated Property |
| Cp,gas | 903.12 | J/mol×K | 1069.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-17alpha-oxa-d-homoestra-1,3,5(10)-trien-17-one.
Sources
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