- InChI
- InChI=1S/C20H26O2/c1-20-10-9-17-16-7-5-15(22-2)11-13(16)3-6-18(17)19(20)8-4-14(20)12-21/h5,7,11-12,14,17-19H,3-4,6,8-10H2,1-2H3
- InChI Key
- NMYYLLXEYZDKPO-UHFFFAOYSA-N
- Formula
- C20H26O2
- SMILES
-
COc1ccc2c(c1)CCC1C2CCC2(C)C(C=
O)CCC12 - Molecular Weight1
- 298.42
- CAS
- 63779-92-0
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5598 | Relay (... Calculated Property | |
| ΔfG° | 143.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.89 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.78 | kJ/mol | Relay (... Calculated Property |
| IE | 7.99 | eV | Relay (... Calculated Property |
| log10WS | -5.23 | Relay (... Calculated Property | |
| logPoct/wat | 4.366 | Crippen Calculated Property | |
| McVol | 243.760 | ml/mol | McGowan Calculated Property |
| Pc | 1793.94 | kPa | Joback Calculated Property |
| Tboil | 675.14 | K | Relay (... Calculated Property |
| Tc | 941.36 | K | Relay (... Calculated Property |
| Tfus | 406.25 | K | Relay (... Calculated Property |
| Vc | 0.853 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [787.22; 909.39] | J/mol×K | [784.38; 1020.26] | 
|
| Cp,gas | 787.22 | J/mol×K | 784.38 | Joback Calculated Property |
| Cp,gas | 809.05 | J/mol×K | 823.69 | Joback Calculated Property |
| Cp,gas | 829.98 | J/mol×K | 863.01 | Joback Calculated Property |
| Cp,gas | 850.26 | J/mol×K | 902.32 | Joback Calculated Property |
| Cp,gas | 870.10 | J/mol×K | 941.64 | Joback Calculated Property |
| Cp,gas | 889.73 | J/mol×K | 980.95 | Joback Calculated Property |
| Cp,gas | 909.39 | J/mol×K | 1020.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-17beta-formyl-1,3,5(10)-estratriene.
Sources
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