- 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).
- 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° | 336.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 103.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.74 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.755 | Crippen Calculated Property | |
| McVol | 189.850 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | 1509.00 | NIST | |
| Tboil | 567.38 | K | Joback Calculated Property |
| Tc | 774.48 | K | Joback Calculated Property |
| Tfus | 266.31 | K | Joback Calculated Property |
| Vc | 0.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.61; 544.50] | J/mol×K | [567.38; 774.48] | 
|
| Cp,gas | 451.61 | J/mol×K | 567.38 | Joback Calculated Property |
| Cp,gas | 469.51 | J/mol×K | 601.90 | Joback Calculated Property |
| Cp,gas | 486.37 | J/mol×K | 636.41 | Joback Calculated Property |
| Cp,gas | 502.25 | J/mol×K | 670.93 | Joback Calculated Property |
| Cp,gas | 517.20 | J/mol×K | 705.45 | Joback Calculated Property |
| Cp,gas | 531.26 | J/mol×K | 739.97 | Joback Calculated Property |
| Cp,gas | 544.50 | J/mol×K | 774.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bisabola-1,3,5,7(14),11-pentaene.
Sources
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