- InChI
- InChI=1S/C7H10O/c1-6(2)4-5-7(3)8/h7-8H,1H2,2-3H3
- InChI Key
- WMFIGZRDWHYIOC-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- C=C(C)C#CC(C)O
- Molecular Weight1
- 110.16
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 22.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.947 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Tboil | 431.35 | 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, 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 | [201.28; 250.32] | J/mol×K | [457.06; 649.81] | 
|
| Cp,gas | 201.28 | J/mol×K | 457.06 | Joback Calculated Property |
| Cp,gas | 210.47 | J/mol×K | 489.19 | Joback Calculated Property |
| Cp,gas | 219.23 | J/mol×K | 521.31 | Joback Calculated Property |
| Cp,gas | 227.58 | J/mol×K | 553.44 | Joback Calculated Property |
| Cp,gas | 235.53 | J/mol×K | 585.56 | Joback Calculated Property |
| Cp,gas | 243.11 | J/mol×K | 617.69 | Joback Calculated Property |
| Cp,gas | 250.32 | J/mol×K | 649.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-5-hexen-3-yn-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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