- InChI
- InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h5-8H,1-4H3/b6-5+
- InChI Key
- HQTKNGJJNNTBLG-AATRIKPKSA-N
- Formula
- C9H16
- SMILES
- CC(C)=CC=CC(C)C
- Molecular Weight1
- 124.22
- CAS
- 4634-87-1
- Other Names
-
- 2,6-dimethyl-2,4-heptadiene
- 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).
- 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 | -58.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.165 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Tboil | 403.09 | K | Relay (1.0) Calculated Property |
| Tfus | 244.58 | 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 | [243.19; 319.47] | J/mol×K | [413.08; 600.66] | 
|
| Cp,gas | 243.19 | J/mol×K | 413.08 | Joback Calculated Property |
| Cp,gas | 257.66 | J/mol×K | 444.34 | Joback Calculated Property |
| Cp,gas | 271.38 | J/mol×K | 475.61 | Joback Calculated Property |
| Cp,gas | 284.38 | J/mol×K | 506.87 | Joback Calculated Property |
| Cp,gas | 296.71 | J/mol×K | 538.13 | Joback Calculated Property |
| Cp,gas | 308.40 | J/mol×K | 569.40 | Joback Calculated Property |
| Cp,gas | 319.47 | J/mol×K | 600.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Heptadiene, 2,6-dimethyl-.
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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