- InChI
- InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12?,13-,15+/m1/s1
- InChI Key
- WJHRAVIQWFQMKF-RLSDIYDTSA-N
- Formula
- C15H26O2
- SMILES
-
CC1=CCC(C2(C)CCC(O)C(C)(C)O2)C
C1 - Molecular Weight1
- 238.37
- 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° | -104.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.441 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Inp | [1669.00; 1685.00] |
|
|
| Inp | 1685.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Tboil | 696.11 | K | Joback Calculated Property |
| Tc | 915.11 | K | Joback Calculated Property |
| Tfus | 413.56 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.07; 750.18] | J/mol×K | [696.11; 915.11] |
|
| Cp,gas | 634.07 | J/mol×K | 696.11 | Joback Calculated Property |
| Cp,gas | 654.68 | J/mol×K | 732.61 | Joback Calculated Property |
| Cp,gas | 674.52 | J/mol×K | 769.11 | Joback Calculated Property |
| Cp,gas | 693.78 | J/mol×K | 805.61 | Joback Calculated Property |
| Cp,gas | 712.67 | J/mol×K | 842.11 | Joback Calculated Property |
| Cp,gas | 731.40 | J/mol×K | 878.61 | Joback Calculated Property |
| Cp,gas | 750.18 | J/mol×K | 915.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Bisabolone oxide A.
Sources
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