- InChI
- InChI=1S/C15H26O/c1-12(2)6-5-7-13(3)14-8-10-15(4,16)11-9-14/h5-6,8,10,12-14,16H,7,9,11H2,1-4H3/b6-5-
- InChI Key
- VPQVBGZEPDUZFM-WAYWQWQTSA-N
- Formula
- C15H26O
- SMILES
- CC(C)C=CCC(C)C1C=CC(C)(O)CC1
- Molecular Weight1
- 222.37
- 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° | 55.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.11 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 3.942 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 1984.12 | kPa | Joback Calculated Property |
| Inp | [1619.00; 1619.00] |
|
|
| Inp | 1619.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Tboil | 652.34 | K | Joback Calculated Property |
| Tc | 849.78 | K | Joback Calculated Property |
| Tfus | 312.35 | K | Joback Calculated Property |
| Vc | 0.778 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.62; 685.09] | J/mol×K | [652.34; 849.78] |
|
| Cp,gas | 586.62 | J/mol×K | 652.34 | Joback Calculated Property |
| Cp,gas | 604.92 | J/mol×K | 685.25 | Joback Calculated Property |
| Cp,gas | 622.32 | J/mol×K | 718.15 | Joback Calculated Property |
| Cp,gas | 638.93 | J/mol×K | 751.06 | Joback Calculated Property |
| Cp,gas | 654.86 | J/mol×K | 783.97 | Joback Calculated Property |
| Cp,gas | 670.21 | J/mol×K | 816.88 | Joback Calculated Property |
| Cp,gas | 685.09 | J/mol×K | 849.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(7Z)-Bisaboladien-4-ol.
Sources
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