- 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(21)12-20/h5,7,11,17-19H,3-4,6,8-10,12H2,1-2H3/t17?,18-,19?,20?/m1/s1
- InChI Key
- TUNMWZWFKFYHNV-HTYYJLERSA-N
- Formula
- C20H26O2
- SMILES
-
COc1ccc2c(c1)CCC1C2CCC2(C)CC(=
O)CCC12 - Molecular Weight1
- 298.42
- CAS
- 1232-88-8
- 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 |
|---|---|---|---|
| ΔfG° | 115.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.17 | kJ/mol | Joback Calculated Property |
| IE | 8.17 ± 0.08 | eV | NIST |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 4.511 | Crippen Calculated Property | |
| McVol | 243.760 | ml/mol | McGowan Calculated Property |
| Pc | 1823.17 | kPa | Joback Calculated Property |
| Tboil | 812.48 | K | Joback Calculated Property |
| Tc | 1064.10 | K | Joback Calculated Property |
| Tfus | 519.99 | K | Joback Calculated Property |
| Vc | 0.916 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.72; 934.11] | J/mol×K | [812.48; 1064.10] | 
|
| Cp,gas | 804.72 | J/mol×K | 812.48 | Joback Calculated Property |
| Cp,gas | 828.08 | J/mol×K | 854.42 | Joback Calculated Property |
| Cp,gas | 850.43 | J/mol×K | 896.35 | Joback Calculated Property |
| Cp,gas | 871.97 | J/mol×K | 938.29 | Joback Calculated Property |
| Cp,gas | 892.95 | J/mol×K | 980.23 | Joback Calculated Property |
| Cp,gas | 913.59 | J/mol×K | 1022.16 | Joback Calculated Property |
| Cp,gas | 934.11 | J/mol×K | 1064.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Homoestra-1,3,5(10)-trien-17a-one,3-methoxy-,(8«alpha»)-.
Sources
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