- InChI
- InChI=1S/C5H6/c1-3-5-4-2/h1,4-5H,2H3
- InChI Key
- XAJOPMVSQIBJCW-UHFFFAOYSA-N
- Formula
- C5H6
- SMILES
- C#CC=CC
- Molecular Weight1
- 66.10
- CAS
- 2206-23-7
- Other Names
-
- Propenylacetylene
- 2-Penten-4-yne
- Pent-3-en-1-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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 265.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.50; 9.14] | eV |
|
| IE | 9.14 | eV | NIST |
| IE | 8.50 | eV | NIST |
| logPoct/wat | 1.196 | Crippen Calculated Property | |
| McVol | 68.410 | ml/mol | McGowan Calculated Property |
| Inp | [525.00; 525.00] |
|
|
| Inp | 525.00 | NIST | |
| Inp | 525.00 | NIST | |
| Tboil | [317.05; 320.20] | K |
|
| Tboil | 320.20 ± 2.00 | K | NIST |
| Tboil | 317.05 ± 3.00 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [94.95; 131.57] | J/mol×K | [308.28; 493.21] |
|
| Cp,gas | 94.95 | J/mol×K | 308.28 | Joback Calculated Property |
| Cp,gas | 101.99 | J/mol×K | 339.10 | Joback Calculated Property |
| Cp,gas | 108.63 | J/mol×K | 369.92 | Joback Calculated Property |
| Cp,gas | 114.89 | J/mol×K | 400.74 | Joback Calculated Property |
| Cp,gas | 120.78 | J/mol×K | 431.57 | Joback Calculated Property |
| Cp,gas | 126.34 | J/mol×K | 462.39 | Joback Calculated Property |
| Cp,gas | 131.57 | J/mol×K | 493.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-1-yne.
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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