- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 294.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 262.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.54 | kJ/mol | Joback Calculated Property |
| IE | [8.50; 9.14] | eV |
|
| IE | 9.14 | eV | NIST |
| IE | 8.50 | eV | NIST |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.196 | Crippen Calculated Property | |
| McVol | 68.410 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback 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 |
| Tc | 492.89 | K | Joback Calculated Property |
| Tfus | 188.00 | K | Joback Calculated Property |
| Vc | 0.258 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [94.90; 131.51] | J/mol×K | [308.08; 492.89] |
|
| Cp,gas | 94.90 | J/mol×K | 308.08 | Joback Calculated Property |
| Cp,gas | 101.94 | J/mol×K | 338.88 | Joback Calculated Property |
| Cp,gas | 108.58 | J/mol×K | 369.68 | Joback Calculated Property |
| Cp,gas | 114.84 | J/mol×K | 400.48 | Joback Calculated Property |
| Cp,gas | 120.73 | J/mol×K | 431.29 | Joback Calculated Property |
| Cp,gas | 126.28 | J/mol×K | 462.09 | Joback Calculated Property |
| Cp,gas | 131.51 | J/mol×K | 492.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-1-yne.
Sources
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