- InChI
- InChI=1S/C15H24O/c1-12(2)5-4-6-13(3)15-9-7-14(11-16)8-10-15/h5,7,15-16H,3-4,6,8-11H2,1-2H3
- InChI Key
- AWXTUFPUJSQYGO-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- C=C(CCC=C(C)C)C1CC=C(CO)CC1
- Molecular Weight1
- 220.35
- CAS
- 147126-90-7
- 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° | 134.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 4.008 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | [1753.00; 1794.00] |
|
|
| Inp | 1753.00 | NIST | |
| Inp | 1785.00 | NIST | |
| Inp | 1794.00 | NIST | |
| Inp | 1791.00 | NIST | |
| Inp | 1783.00 | NIST | |
| Inp | 1790.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Inp | 1794.00 | NIST | |
| Inp | 1753.00 | NIST | |
| Tboil | 659.07 | K | Joback Calculated Property |
| Tc | 853.50 | K | Joback Calculated Property |
| Tfus | 305.53 | K | Joback Calculated Property |
| Vc | 0.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.70; 652.98] | J/mol×K | [659.07; 853.50] |
|
| Cp,gas | 563.70 | J/mol×K | 659.07 | Joback Calculated Property |
| Cp,gas | 580.78 | J/mol×K | 691.47 | Joback Calculated Property |
| Cp,gas | 596.91 | J/mol×K | 723.88 | Joback Calculated Property |
| Cp,gas | 612.15 | J/mol×K | 756.28 | Joback Calculated Property |
| Cp,gas | 626.54 | J/mol×K | 788.69 | Joback Calculated Property |
| Cp,gas | 640.14 | J/mol×K | 821.09 | Joback Calculated Property |
| Cp,gas | 652.98 | J/mol×K | 853.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Bisabolenol.
Sources
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