- InChI
- InChI=1S/C15H20/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8-11H,1,4-7H2,2-3H3
- InChI Key
- FRNIMXBIDKGTCS-UHFFFAOYSA-N
- Formula
- C15H20
- SMILES
- C=C(C)CCCC(=C)c1ccc(C)cc1
- Molecular Weight1
- 200.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 66.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.08 | kJ/mol | Joback Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.755 | Crippen Calculated Property | |
| McVol | 189.850 | ml/mol | McGowan Calculated Property |
| Inp | 1509.00 | NIST | |
| Tboil | 549.73 | K | Relay (1.0) Calculated Property |
| Tfus | 255.39 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.67; 614.06] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.57170e+01 | |||
| Coefficient B | 1.25024e+00 | |||
| Coefficient C | -8.06760e-04 | |||
| Coefficient D | 2.06300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 249.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 314.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 372.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 422.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 466.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 504.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 538.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 566.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 592.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 614.06 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Bisabola-1,3,5,7(14),11-pentaene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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