- InChI
- InChI=1S/C18H26O4/c1-16-7-6-12-10(11(16)3-4-13(16)19)5-8-18-14(22-18)15(20)21-9-17(12,18)2/h10-14,19H,3-9H2,1-2H3
- InChI Key
- MDIANPPZAJCEKU-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CC12CCC3C(CCC45OC4C(=O)OCC35C)
C1CCC2O - Molecular Weight1
- 306.40
- CAS
- 4354-23-8
- 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° | -103.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 2.284 | Crippen Calculated Property | |
| McVol | 229.360 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Tboil | 858.36 | K | Joback Calculated Property |
| Tc | 1098.72 | K | Joback Calculated Property |
| Tfus | 612.92 | K | Joback Calculated Property |
| Vc | 0.864 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [852.95; 1036.38] | J/mol×K | [858.36; 1098.72] | 
|
| Cp,gas | 852.95 | J/mol×K | 858.36 | Joback Calculated Property |
| Cp,gas | 878.70 | J/mol×K | 898.42 | Joback Calculated Property |
| Cp,gas | 905.71 | J/mol×K | 938.48 | Joback Calculated Property |
| Cp,gas | 934.49 | J/mol×K | 978.54 | Joback Calculated Property |
| Cp,gas | 965.52 | J/mol×K | 1018.60 | Joback Calculated Property |
| Cp,gas | 999.32 | J/mol×K | 1058.66 | Joback Calculated Property |
| Cp,gas | 1036.38 | J/mol×K | 1098.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxa-5beta-androstan-3-one, 4beta,5-epoxy-17beta-hydroxy-.
Sources
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