- InChI
- InChI=1S/C20H32O2/c1-3-20(22)12-10-17-15-7-8-16-13(5-4-6-18(16)21)14(15)9-11-19(17,20)2/h13-17,22H,3-12H2,1-2H3/t13?,14?,15?,16-,17?,19?,20-/m1/s1
- InChI Key
- PZXUCTNTGYRTTC-JJVWSAESSA-N
- Formula
- C20H32O2
- SMILES
-
CCC1(O)CCC2C3CCC4C(=O)CCCC4C3C
CC21C - Molecular Weight1
- 304.47
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6056 | Relay (... Calculated Property | |
| ΔfG° | 6.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -4.70 | Relay (... Calculated Property | |
| logPoct/wat | 4.349 | Crippen Calculated Property | |
| McVol | 256.660 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | [2650.00; 2650.00] |
|
|
| Inp | 2650.00 | NIST | |
| Inp | 2650.00 | NIST | |
| Tboil | 642.24 | K | Relay (... Calculated Property |
| Tc | 939.08 | K | Relay (... Calculated Property |
| Tfus | 447.36 | K | Relay (... Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [933.14; 1089.95] | J/mol×K | [851.78; 1082.72] |
|
| Cp,gas | 933.14 | J/mol×K | 851.78 | Joback Calculated Property |
| Cp,gas | 958.57 | J/mol×K | 890.27 | Joback Calculated Property |
| Cp,gas | 983.88 | J/mol×K | 928.76 | Joback Calculated Property |
| Cp,gas | 1009.37 | J/mol×K | 967.25 | Joback Calculated Property |
| Cp,gas | 1035.35 | J/mol×K | 1005.74 | Joback Calculated Property |
| Cp,gas | 1062.10 | J/mol×K | 1044.23 | Joback Calculated Property |
| Cp,gas | 1089.95 | J/mol×K | 1082.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estran-4-on-17B-ol, 17A-ethyl.
Sources
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