- InChI
- InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3
- InChI Key
- IPEHJNRNYPOFII-UHFFFAOYSA-N
- Formula
- C20H28O2
- SMILES
-
CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(
C)C1CC2=O - Molecular Weight1
- 300.44
- CAS
- 511-05-7
- Other Names
-
- Podocarpa-8,11,13-trien-7-one, 12-hydroxy-13-isopropyl-
- Sugiol
- (4aS,10aS)-6-Hydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one
- 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).
- Inp : Non-polar retention indices.
- 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° | 9.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 5.186 | Crippen Calculated Property | |
| McVol | 254.620 | ml/mol | McGowan Calculated Property |
| Pc | 1927.05 | kPa | Joback Calculated Property |
| Inp | [2659.90; 2659.90] |
|
|
| Inp | 2659.90 | NIST | |
| Inp | 2659.90 | NIST | |
| Tboil | 859.47 | K | Joback Calculated Property |
| Tc | 1111.68 | K | Joback Calculated Property |
| Tfus | 603.96 | K | Joback Calculated Property |
| Vc | 0.907 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.19; 1013.13] | J/mol×K | [859.47; 1111.68] |
|
| Cp,gas | 847.19 | J/mol×K | 859.47 | Joback Calculated Property |
| Cp,gas | 871.90 | J/mol×K | 901.51 | Joback Calculated Property |
| Cp,gas | 897.24 | J/mol×K | 943.54 | Joback Calculated Property |
| Cp,gas | 923.61 | J/mol×K | 985.58 | Joback Calculated Property |
| Cp,gas | 951.45 | J/mol×K | 1027.61 | Joback Calculated Property |
| Cp,gas | 981.15 | J/mol×K | 1069.65 | Joback Calculated Property |
| Cp,gas | 1013.13 | J/mol×K | 1111.68 | Joback Calculated Property |
Similar Compounds
Sources
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