- InChI
- InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h8-9H,1,6H2,2-3H3
- InChI Key
- ISBXAXQCXXKEHA-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- C=C(C)C#CCC(C)O
- Molecular Weight1
- 124.18
- 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 | -3.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.337 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Tboil | 430.47 | 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 | [241.27; 296.64] | J/mol×K | [479.74; 670.27] | 
|
| Cp,gas | 241.27 | J/mol×K | 479.74 | Joback Calculated Property |
| Cp,gas | 251.64 | J/mol×K | 511.49 | Joback Calculated Property |
| Cp,gas | 261.53 | J/mol×K | 543.25 | Joback Calculated Property |
| Cp,gas | 270.95 | J/mol×K | 575.00 | Joback Calculated Property |
| Cp,gas | 279.94 | J/mol×K | 606.76 | Joback Calculated Property |
| Cp,gas | 288.50 | J/mol×K | 638.51 | Joback Calculated Property |
| Cp,gas | 296.64 | J/mol×K | 670.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyl-6-hepten-4-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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