- InChI
- InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h7-12H,5-6H2,1-4H3/b14-7-
- InChI Key
- YKWOHCWVJMGYOF-AUWJEWJLSA-N
- Formula
- C15H22
- SMILES
- CC(=CCCC(C)C)c1ccc(C)cc1
- Molecular Weight1
- 202.34
- 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° | 247.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.835 | Crippen Calculated Property | |
| McVol | 194.150 | ml/mol | McGowan Calculated Property |
| Pc | 1928.74 | kPa | Joback Calculated Property |
| Inp | [1557.00; 1557.00] |
|
|
| Inp | 1557.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Tboil | 577.86 | K | Joback Calculated Property |
| Tc | 786.13 | K | Joback Calculated Property |
| Tfus | 263.71 | K | Joback Calculated Property |
| Vc | 0.743 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.13; 571.47] | J/mol×K | [577.86; 786.13] |
|
| Cp,gas | 474.13 | J/mol×K | 577.86 | Joback Calculated Property |
| Cp,gas | 492.87 | J/mol×K | 612.57 | Joback Calculated Property |
| Cp,gas | 510.53 | J/mol×K | 647.28 | Joback Calculated Property |
| Cp,gas | 527.17 | J/mol×K | 682.00 | Joback Calculated Property |
| Cp,gas | 542.83 | J/mol×K | 716.71 | Joback Calculated Property |
| Cp,gas | 557.58 | J/mol×K | 751.42 | Joback Calculated Property |
| Cp,gas | 571.47 | J/mol×K | 786.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bisabola-1,3,5,7-tetraene.
Sources
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