- InChI
- InChI=1S/C20H30O3/c1-18-8-7-16-14(15(18)5-6-17(18)21)4-3-13-11-20(12-19(13,16)2)22-9-10-23-20/h11,14-17,21H,3-10,12H2,1-2H3
- InChI Key
- WGOIRXCGJHBAPL-UHFFFAOYSA-N
- Formula
- C20H30O3
- SMILES
-
CC12CC3(C=C1CCC1C2CCC2(C)C(O)C
CC12)OCCO3 - Molecular Weight1
- 318.45
- CAS
- 2429-36-9
- 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° | 40.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 3.663 | Crippen Calculated Property | |
| McVol | 251.670 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Tboil | 853.65 | K | Joback Calculated Property |
| Tc | 1091.69 | K | Joback Calculated Property |
| Tfus | 577.72 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [911.98; 1099.41] | J/mol×K | [853.65; 1091.69] | 
|
| Cp,gas | 911.98 | J/mol×K | 853.65 | Joback Calculated Property |
| Cp,gas | 938.63 | J/mol×K | 893.32 | Joback Calculated Property |
| Cp,gas | 966.43 | J/mol×K | 933.00 | Joback Calculated Property |
| Cp,gas | 995.88 | J/mol×K | 972.67 | Joback Calculated Property |
| Cp,gas | 1027.52 | J/mol×K | 1012.35 | Joback Calculated Property |
| Cp,gas | 1061.86 | J/mol×K | 1052.02 | Joback Calculated Property |
| Cp,gas | 1099.41 | J/mol×K | 1091.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to A-norandrost-3(5)-en-2-one, 17-hydroxy-, cyclic ethylene acetal.
Sources
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