- InChI
- InChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h4,8H,1H2,2-3H3
- InChI Key
- OYWGYGPXPDGOGH-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- C=CC#CC(C)(C)O
- Molecular Weight1
- 110.16
- Other Names
-
- Dimethyl(vinylethynyl)carbinol
- 2-Methyl-5-hexen-3-yn-2-ol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4169.20 ± 0.50 | kJ/mol | NIST |
| ΔfH°gas | 46.20 ± 0.80 | kJ/mol | NIST |
| ΔfH°liquid | -14.60 ± 0.70 | kJ/mol | NIST |
| ΔfusH° | 12.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [60.80; 60.80] | kJ/mol |
|
| ΔvapH° | 60.80 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 60.80 | kJ/mol | NIST |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.947 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Tboil | 417.68 | K | Relay (1.0) Calculated Property |
| Tfus | 269.85 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.31; 310.97] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.09000e+00 | |||
| Coefficient B | 6.58840e-01 | |||
| Coefficient C | -4.89960e-04 | |||
| Coefficient D | 1.50180e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 170.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 221.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 242.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 259.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 275.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 288.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 300.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 310.97 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-3-yn-2-ol, 2-methyl-.
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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