- InChI
- InChI=1S/C23H38O3/c1-14-23(26-21(2,3)25-14)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-22(20,23)4/h14-20,24H,5-13H2,1-4H3/t14-,15-,16-,17?,18?,19?,20?,22+,23+/m0/s1
- InChI Key
- AEYQWMMCYCJLEE-QUJHUTGTSA-N
- Formula
- C23H38O3
- SMILES
-
CC1OC(C)(C)OC12CCC1C3CCC4CC(O)
CCC4C3CCC12C - Molecular Weight1
- 362.55
- 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° | 9.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.85 | Crippen Calculated Property | |
| logPoct/wat | 4.910 | Crippen Calculated Property | |
| McVol | 298.240 | ml/mol | McGowan Calculated Property |
| Pc | 1499.99 | kPa | Joback Calculated Property |
| Inp | [2665.00; 2665.00] |
|
|
| Inp | 2665.00 | NIST | |
| Inp | 2665.00 | NIST | |
| Tboil | 908.41 | K | Joback Calculated Property |
| Tc | 1141.28 | K | Joback Calculated Property |
| Tfus | 582.01 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1151.23; 1369.09] | J/mol×K | [908.41; 1141.28] |
|
| Cp,gas | 1151.23 | J/mol×K | 908.41 | Joback Calculated Property |
| Cp,gas | 1183.04 | J/mol×K | 947.22 | Joback Calculated Property |
| Cp,gas | 1216.03 | J/mol×K | 986.03 | Joback Calculated Property |
| Cp,gas | 1250.67 | J/mol×K | 1024.85 | Joback Calculated Property |
| Cp,gas | 1287.41 | J/mol×K | 1063.66 | Joback Calculated Property |
| Cp,gas | 1326.73 | J/mol×K | 1102.47 | Joback Calculated Property |
| Cp,gas | 1369.09 | J/mol×K | 1141.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Pregnan-3«alpha»,17«alpha»,20«beta»-triol, 17,20-acetonide.
Sources
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