- InChI
- InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3
- InChI Key
- XZRVRYFILCSYSP-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- C=C(CCC=C(C)C)C1CC=C(C)CC1
- Molecular Weight1
- 204.35
- 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.
- 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° | 271.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 5.035 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1845.16 | kPa | Joback Calculated Property |
| Inp | [1461.00; 1540.00] |
|
|
| Inp | 1461.00 | NIST | |
| Inp | 1465.40 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1522.00 | NIST | |
| I | [1736.00; 1792.00] |
|
|
| I | 1792.00 | NIST | |
| I | 1777.00 | NIST | |
| I | 1736.00 | NIST | |
| I | 1792.00 | NIST | |
| Tboil | 566.89 | K | Joback Calculated Property |
| Tc | 773.75 | K | Joback Calculated Property |
| Tfus | 244.71 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.97; 602.09] | J/mol×K | [566.89; 773.75] |
|
| Cp,gas | 492.97 | J/mol×K | 566.89 | Joback Calculated Property |
| Cp,gas | 513.94 | J/mol×K | 601.37 | Joback Calculated Property |
| Cp,gas | 533.73 | J/mol×K | 635.84 | Joback Calculated Property |
| Cp,gas | 552.38 | J/mol×K | 670.32 | Joback Calculated Property |
| Cp,gas | 569.95 | J/mol×K | 704.80 | Joback Calculated Property |
| Cp,gas | 586.51 | J/mol×K | 739.28 | Joback Calculated Property |
| Cp,gas | 602.09 | J/mol×K | 773.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bisabolene.
Sources
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