- InChI
- InChI=1S/C25H38O6/c1-14(26)30-18-7-9-24(3)17(13-18)5-6-19-20(24)8-10-25(4)21(19)11-16(12-22(28)29)23(25)31-15(2)27/h16-21,23H,5-13H2,1-4H3,(H,28,29)
- InChI Key
- ZCECNGOCGUYLHX-UHFFFAOYSA-N
- Formula
- C25H38O6
- SMILES
-
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C
)C3CC(CC(=O)O)C2OC(C)=O)C1 - Molecular Weight1
- 434.57
- CAS
- 125638-43-9
- 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 | 0.8807 | Relay (... Calculated Property | |
| ΔfG° | -440.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1314.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.49 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -4.44 | Relay (... Calculated Property | |
| logPoct/wat | 4.593 | Crippen Calculated Property | |
| McVol | 341.990 | ml/mol | McGowan Calculated Property |
| Pc | 1274.60 | kPa | Joback Calculated Property |
| Tboil | 699.44 | K | Relay (... Calculated Property |
| Tc | 994.57 | K | Relay (... Calculated Property |
| Tfus | 427.48 | K | Relay (... Calculated Property |
| Vc | 1.222 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1380.02; 1603.21] | J/mol×K | [1095.47; 1341.39] | 
|
| Cp,gas | 1380.02 | J/mol×K | 1095.47 | Joback Calculated Property |
| Cp,gas | 1412.56 | J/mol×K | 1136.46 | Joback Calculated Property |
| Cp,gas | 1446.49 | J/mol×K | 1177.44 | Joback Calculated Property |
| Cp,gas | 1482.16 | J/mol×K | 1218.43 | Joback Calculated Property |
| Cp,gas | 1519.93 | J/mol×K | 1259.41 | Joback Calculated Property |
| Cp,gas | 1560.17 | J/mol×K | 1300.40 | Joback Calculated Property |
| Cp,gas | 1603.21 | J/mol×K | 1341.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate.
Sources
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