- InChI
- InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16?,17-,18?/m0/s1
- InChI Key
- RYWZPRVUQHMJFF-ADKAHSJRSA-N
- Formula
- C18H20O2
- SMILES
-
CC12CCc3c(ccc4cc(O)ccc34)C1CCC
2O - Molecular Weight1
- 268.35
- CAS
- 6639-99-2
- Other Names
-
- estra-1,3,5,7,9-pentaene-3,17«alpha»-diol
- 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° | 105.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.736 | Crippen Calculated Property | |
| McVol | 211.280 | ml/mol | McGowan Calculated Property |
| Pc | 2884.30 | kPa | Joback Calculated Property |
| Inp | [2854.30; 2887.30] |
|
|
| Inp | 2854.30 | NIST | |
| Inp | 2887.30 | NIST | |
| Inp | 2873.90 | NIST | |
| Inp | 2854.30 | NIST | |
| Tboil | 852.98 | K | Joback Calculated Property |
| Tc | 1092.15 | K | Joback Calculated Property |
| Tfus | 601.34 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [682.68; 797.70] | J/mol×K | [852.98; 1092.15] |
|
| Cp,gas | 682.68 | J/mol×K | 852.98 | Joback Calculated Property |
| Cp,gas | 699.94 | J/mol×K | 892.84 | Joback Calculated Property |
| Cp,gas | 717.54 | J/mol×K | 932.70 | Joback Calculated Property |
| Cp,gas | 735.80 | J/mol×K | 972.57 | Joback Calculated Property |
| Cp,gas | 755.03 | J/mol×K | 1012.43 | Joback Calculated Property |
| Cp,gas | 775.56 | J/mol×K | 1052.29 | Joback Calculated Property |
| Cp,gas | 797.70 | J/mol×K | 1092.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17 «alpha» Dihydroequilenin.
Sources
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