- InChI
- InChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12H,6-10H2,1-4H3/t12-,15+/m0/s1
- InChI Key
- MJWZYBQLHJQQJJ-SWLSCSKDSA-N
- Formula
- C15H24O2
- SMILES
-
CC1=CCC(C2(C)CCC(=O)C(C)(C)O2)
CC1 - Molecular Weight1
- 236.35
- CAS
- 22567-38-0
- Other Names
-
- 2H-Pyran-3(4H)-one, dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,R*)]-
- (-)-«alpha»-Bisabolonoxide
- Bisabolone oxide A
- «alpha»-Bisabolone oxide A
- [S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one
- Bisabolon oxide A
- 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).
- I : 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° | -82.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.650 | Crippen Calculated Property | |
| McVol | 203.630 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| I | 2158.00 | NIST | |
| Tboil | 676.42 | K | Joback Calculated Property |
| Tc | 926.73 | K | Joback Calculated Property |
| Tfus | 425.20 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.76; 731.27] | J/mol×K | [676.42; 926.73] | 
|
| Cp,gas | 599.76 | J/mol×K | 676.42 | Joback Calculated Property |
| Cp,gas | 623.47 | J/mol×K | 718.14 | Joback Calculated Property |
| Cp,gas | 646.11 | J/mol×K | 759.86 | Joback Calculated Property |
| Cp,gas | 667.94 | J/mol×K | 801.58 | Joback Calculated Property |
| Cp,gas | 689.24 | J/mol×K | 843.29 | Joback Calculated Property |
| Cp,gas | 710.26 | J/mol×K | 885.01 | Joback Calculated Property |
| Cp,gas | 731.27 | J/mol×K | 926.73 | Joback Calculated Property |
Similar Compounds
Sources
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