- InChI
- InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+
- InChI Key
- WGAUMWNVHAMGJF-AGPUZOHGSA-N
- Formula
- C10H16
- SMILES
- CC=CC=C(C)C(C)=CC
- Molecular Weight1
- 136.23
- CAS
- 57396-75-5
- Other Names
-
- 3,4-Dimethyl-2,4,6-octatriene
- 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).
- 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 | 26.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.64 | kJ/mol | Joback Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.475 | Crippen Calculated Property | |
| McVol | 138.860 | ml/mol | McGowan Calculated Property |
| Inp | [1110.00; 1132.00] |
|
|
| Inp | 1132.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Tboil | 444.02 | K | Relay (1.0) Calculated Property |
| Tfus | 272.12 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [269.53; 347.63] | J/mol×K | [440.64; 635.35] |
|
| Cp,gas | 269.53 | J/mol×K | 440.64 | Joback Calculated Property |
| Cp,gas | 284.56 | J/mol×K | 473.09 | Joback Calculated Property |
| Cp,gas | 298.72 | J/mol×K | 505.54 | Joback Calculated Property |
| Cp,gas | 312.05 | J/mol×K | 538.00 | Joback Calculated Property |
| Cp,gas | 324.61 | J/mol×K | 570.45 | Joback Calculated Property |
| Cp,gas | 336.45 | J/mol×K | 602.90 | Joback Calculated Property |
| Cp,gas | 347.63 | J/mol×K | 635.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Octatriene, 3,4-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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