- InChI
- InChI=1S/C6H8/c1-4-5-6(2)3/h2H2,1,3H3
- InChI Key
- KGIABMDFILVKGN-UHFFFAOYSA-N
- Formula
- C6H8
- SMILES
- C=C(C)C#CC
- Molecular Weight1
- 80.13
- Other Names
-
- CH3C«equiv»CC(CH3)=CH2
- 2-Methyl-1-pentene-3-yne
- 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 | 220.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 ± 0.01 | eV | NIST |
| logPoct/wat | 1.586 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Tboil | 355.50 ± 0.50 | K | NIST |
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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [106.21; 238.97] | 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 | 1.23100e+01 | |||
| Coefficient B | 4.03940e-01 | |||
| Coefficient C | -2.35660e-04 | |||
| Coefficient D | 5.83800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 106.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 128.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 148.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 165.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 181.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 195.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 208.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 219.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 229.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 238.97 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Penten-3-yne, 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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