- InChI
- InChI=1S/C15H20/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h7-11H,1,5-6H2,2-4H3/b14-7-
- InChI Key
- ATHANBLXCHRFDY-AUWJEWJLSA-N
- Formula
- C15H20
- SMILES
- C=C(C)CCC=C(C)c1ccc(C)cc1
- Molecular Weight1
- 200.32
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4579 | Relay (1.0) Calculated Property | |
| ΔfG° | 329.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.755 | Crippen Calculated Property | |
| McVol | 189.850 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | 1576.00 | NIST | |
| Tboil | 552.81 | K | Relay (1.0) Calculated Property |
| Tc | 731.09 | K | Relay (1.0) Calculated Property |
| Tfus | 264.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.97; 546.20] | J/mol×K | [574.86; 786.70] | 
|
| Cp,gas | 452.97 | J/mol×K | 574.86 | Joback Calculated Property |
| Cp,gas | 471.01 | J/mol×K | 610.17 | Joback Calculated Property |
| Cp,gas | 487.97 | J/mol×K | 645.47 | Joback Calculated Property |
| Cp,gas | 503.90 | J/mol×K | 680.78 | Joback Calculated Property |
| Cp,gas | 518.88 | J/mol×K | 716.09 | Joback Calculated Property |
| Cp,gas | 532.96 | J/mol×K | 751.39 | Joback Calculated Property |
| Cp,gas | 546.20 | J/mol×K | 786.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bisabola-1,3,5,7,11-pentaene.
Sources
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