- InChI
- InChI=1S/C7H14O/c1-6(2)5-7(3,4)8/h8H,1,5H2,2-4H3
- InChI Key
- YYWMKLMWCPTKDJ-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- C=C(C)CC(C)(C)O
- Molecular Weight1
- 114.19
- 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).
- I : 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 | -289.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| I | 1195.00 | NIST | |
| Tboil | 410.56 | K | Relay (1.0) Calculated Property |
| Tfus | 221.64 | 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 | [234.09; 293.09] | J/mol×K | [445.27; 621.89] | 
|
| Cp,gas | 234.09 | J/mol×K | 445.27 | Joback Calculated Property |
| Cp,gas | 245.30 | J/mol×K | 474.71 | Joback Calculated Property |
| Cp,gas | 255.93 | J/mol×K | 504.14 | Joback Calculated Property |
| Cp,gas | 265.99 | J/mol×K | 533.58 | Joback Calculated Property |
| Cp,gas | 275.52 | J/mol×K | 563.01 | Joback Calculated Property |
| Cp,gas | 284.54 | J/mol×K | 592.45 | Joback Calculated Property |
| Cp,gas | 293.09 | J/mol×K | 621.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl-4-penten-2-ol.
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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