- InChI
- InChI=1S/C18H26O3/c1-17-8-7-12-10(11(17)5-6-15(17)20)3-4-13-16(21)14(19)9-18(12,13)2/h10-12,15,20-21H,3-9H2,1-2H3
- InChI Key
- BCMRIYGWARNVDI-UHFFFAOYSA-N
- Formula
- C18H26O3
- SMILES
-
CC12CC(=O)C(O)=C1CCC1C2CCC2(C)
C(O)CCC12 - Molecular Weight1
- 290.40
- CAS
- 1509-39-3
- 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° | -116.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.375 | Crippen Calculated Property | |
| McVol | 230.050 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Tboil | 907.72 | K | Joback Calculated Property |
| Tc | 1131.90 | K | Joback Calculated Property |
| Tfus | 605.28 | K | Joback Calculated Property |
| Vc | 0.865 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.58; 992.38] | J/mol×K | [907.72; 1131.90] | 
|
| Cp,gas | 845.58 | J/mol×K | 907.72 | Joback Calculated Property |
| Cp,gas | 867.57 | J/mol×K | 945.08 | Joback Calculated Property |
| Cp,gas | 890.18 | J/mol×K | 982.45 | Joback Calculated Property |
| Cp,gas | 913.69 | J/mol×K | 1019.81 | Joback Calculated Property |
| Cp,gas | 938.38 | J/mol×K | 1057.17 | Joback Calculated Property |
| Cp,gas | 964.52 | J/mol×K | 1094.53 | Joback Calculated Property |
| Cp,gas | 992.38 | J/mol×K | 1131.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to A-norandrost-3(5)-en-2-one, 3,17-dihydroxy-.
Sources
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