- InChI
- InChI=1S/C17H26O4/c1-15-7-6-12-10(11(15)3-4-13(15)18)5-8-17(20)16(12,2)9-14(19)21-17/h10-13,18,20H,3-9H2,1-2H3
- InChI Key
- WAJSBKRXXSZNLG-UHFFFAOYSA-N
- Formula
- C17H26O4
- SMILES
-
CC12CCC3C(CCC4(O)OC(=O)CC34C)C
1CCC2O - Molecular Weight1
- 294.39
- CAS
- 3656-95-9
- 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).
- 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° | -235.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 2.225 | Crippen Calculated Property | |
| McVol | 226.130 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Tboil | 898.24 | K | Joback Calculated Property |
| Tc | 1125.37 | K | Joback Calculated Property |
| Tfus | 614.44 | K | Joback Calculated Property |
| Vc | 0.841 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.72; 1026.89] | J/mol×K | [898.24; 1125.37] | 
|
| Cp,gas | 850.72 | J/mol×K | 898.24 | Joback Calculated Property |
| Cp,gas | 875.42 | J/mol×K | 936.09 | Joback Calculated Property |
| Cp,gas | 901.48 | J/mol×K | 973.95 | Joback Calculated Property |
| Cp,gas | 929.28 | J/mol×K | 1011.80 | Joback Calculated Property |
| Cp,gas | 959.19 | J/mol×K | 1049.66 | Joback Calculated Property |
| Cp,gas | 991.60 | J/mol×K | 1087.51 | Joback Calculated Property |
| Cp,gas | 1026.89 | J/mol×K | 1125.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Oxa-a-nor-5alpha-androstane-2-one, 5,17beta-dihydroxy-.
Sources
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