- InChI
- InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-8H,1-3H3/b5-4+,7-6+
- InChI Key
- AHXXJOUHGBPWGW-YTXTXJHMSA-N
- Formula
- C9H14
- SMILES
- C/C=C/C=C/C=C(C)C
- Molecular Weight1
- 122.21
- 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 | 67.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.085 | Crippen Calculated Property | |
| McVol | 124.770 | ml/mol | McGowan Calculated Property |
| Inp | [985.00; 985.00] |
|
|
| Inp | 985.00 | NIST | |
| Inp | 985.00 | NIST | |
| Tboil | 431.85 | K | Relay (1.0) Calculated Property |
| Tfus | 287.27 | 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 | [228.18; 299.75] | J/mol×K | [417.68; 610.37] |
|
| Cp,gas | 228.18 | J/mol×K | 417.68 | Joback Calculated Property |
| Cp,gas | 241.99 | J/mol×K | 449.79 | Joback Calculated Property |
| Cp,gas | 254.98 | J/mol×K | 481.91 | Joback Calculated Property |
| Cp,gas | 267.21 | J/mol×K | 514.02 | Joback Calculated Property |
| Cp,gas | 278.72 | J/mol×K | 546.14 | Joback Calculated Property |
| Cp,gas | 289.55 | J/mol×K | 578.25 | Joback Calculated Property |
| Cp,gas | 299.75 | J/mol×K | 610.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-2,4,6-octatriene.
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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