- InChI
- InChI=1S/C19H18O2/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/h3-7,11H,8-10H2,1-2H3
- InChI Key
- GSJXNXTTXUGDFZ-UHFFFAOYSA-N
- Formula
- C19H18O2
- SMILES
-
COc1ccc2c3c(ccc2c1)C1=CCC(=O)C
1(C)CC3 - Molecular Weight1
- 278.35
- CAS
- 21513-03-1
- 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° | 203.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.56 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 4.157 | Crippen Calculated Property | |
| McVol | 216.770 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Tboil | 811.76 | K | Joback Calculated Property |
| Tc | 1069.15 | K | Joback Calculated Property |
| Tfus | 564.80 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.79; 756.44] | J/mol×K | [811.76; 1069.15] | 
|
| Cp,gas | 647.79 | J/mol×K | 811.76 | Joback Calculated Property |
| Cp,gas | 665.99 | J/mol×K | 854.66 | Joback Calculated Property |
| Cp,gas | 683.81 | J/mol×K | 897.56 | Joback Calculated Property |
| Cp,gas | 701.50 | J/mol×K | 940.46 | Joback Calculated Property |
| Cp,gas | 719.33 | J/mol×K | 983.36 | Joback Calculated Property |
| Cp,gas | 737.56 | J/mol×K | 1026.26 | Joback Calculated Property |
| Cp,gas | 756.44 | J/mol×K | 1069.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxyestra-1,3,5(10),6,8,14-hexaen-17-one.
Sources
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