- InChI
- InChI=1S/C11H18O/c1-5-7-9-11(3,4)12-10-8-6-2/h5H,1,6,8,10H2,2-4H3
- InChI Key
- OUIQSMDXNSJEQD-UHFFFAOYSA-N
- Formula
- C11H18O
- SMILES
- C=CC#CC(C)(C)OCCCC
- Molecular Weight1
- 166.26
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -6836.00 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -6.70 ± 1.40 | kJ/mol | NIST |
| ΔfH°liquid | -62.40 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 19.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [55.70; 55.70] | kJ/mol |
|
| ΔvapH° | 55.70 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 55.70 | kJ/mol | NIST |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.771 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Tboil | 433.20 | 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 | [342.77; 426.55] | J/mol×K | [475.95; 673.47] |
|
| Cp,gas | 342.77 | J/mol×K | 475.95 | Joback Calculated Property |
| Cp,gas | 358.61 | J/mol×K | 508.87 | Joback Calculated Property |
| Cp,gas | 373.66 | J/mol×K | 541.79 | Joback Calculated Property |
| Cp,gas | 387.95 | J/mol×K | 574.71 | Joback Calculated Property |
| Cp,gas | 401.51 | J/mol×K | 607.63 | Joback Calculated Property |
| Cp,gas | 414.37 | J/mol×K | 640.55 | Joback Calculated Property |
| Cp,gas | 426.55 | J/mol×K | 673.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylvinylethynylmethanol butyl ether.
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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