- InChI
- InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3/b7-6+
- InChI Key
- FZQMZRXKWHQJAG-VOTSOKGWSA-N
- Formula
- C8H16
- SMILES
- CC=C(C)C(C)(C)C
- Molecular Weight1
- 112.21
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -117.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.31 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Inp | [745.10; 759.10] |
|
|
| Inp | 759.10 | NIST | |
| Inp | 759.10 | NIST | |
| Inp | 745.10 | NIST | |
| Inp | 747.00 | NIST | |
| Tboil | 381.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [219.11; 296.41] | J/mol×K | [383.25; 570.42] |
|
| Cp,gas | 219.11 | J/mol×K | 383.25 | Joback Calculated Property |
| Cp,gas | 233.89 | J/mol×K | 414.44 | Joback Calculated Property |
| Cp,gas | 247.86 | J/mol×K | 445.64 | Joback Calculated Property |
| Cp,gas | 261.06 | J/mol×K | 476.83 | Joback Calculated Property |
| Cp,gas | 273.52 | J/mol×K | 508.03 | Joback Calculated Property |
| Cp,gas | 285.30 | J/mol×K | 539.22 | Joback Calculated Property |
| Cp,gas | 296.41 | J/mol×K | 570.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3,4,4-Trimethylpent-2-ene.
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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