- InChI
- InChI=1S/C10H18/c1-9(2)7-6-8-10(3,4)5/h6-8H,1-5H3/b8-6+
- InChI Key
- HRPDOMKMPKLUAK-SOFGYWHQSA-N
- Formula
- C10H18
- SMILES
- CC(C)=CC=CC(C)(C)C
- Molecular Weight1
- 138.25
- 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).
- ΔvapH° : Enthalpy of vaporization 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 | -76.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.555 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Inp | [1161.00; 1161.00] |
|
|
| Inp | 1161.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Tboil | 418.99 | K | Relay (1.0) Calculated Property |
| Tfus | 251.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.98; 372.53] | J/mol×K | [433.17; 627.01] |
|
| Cp,gas | 286.98 | J/mol×K | 433.17 | Joback Calculated Property |
| Cp,gas | 303.54 | J/mol×K | 465.48 | Joback Calculated Property |
| Cp,gas | 319.10 | J/mol×K | 497.78 | Joback Calculated Property |
| Cp,gas | 333.72 | J/mol×K | 530.09 | Joback Calculated Property |
| Cp,gas | 347.47 | J/mol×K | 562.40 | Joback Calculated Property |
| Cp,gas | 360.38 | J/mol×K | 594.70 | Joback Calculated Property |
| Cp,gas | 372.53 | J/mol×K | 627.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,6-Trimethyl-hepta-3,5-diene.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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