- InChI
- InChI=1S/C5H5/c1-3-5-4-2/h1,4-5H,2H2
- InChI Key
- MOHCYMPYDWGDHY-UHFFFAOYSA-N
- Formula
- C5H5
- SMILES
- C#C[CH]C=C
- Molecular Weight1
- 65.09
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1324 | Relay (1.0) Calculated Property | |
| ΔfG° | 352.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 329.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.56 | kJ/mol | Joback Calculated Property |
| IE | 7.88 | eV | NIST |
| logPoct/wat | 1.010 | Crippen Calculated Property | |
| McVol | 66.260 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Tboil | 315.65 | K | Relay (1.0) Calculated Property |
| Tc | 457.67 | K | Relay (1.0) Calculated Property |
| Tfus | 172.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.238 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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 | [84.73; 175.50] | 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 | -1.29600e+01 | |||
| Coefficient B | 4.73900e-01 | |||
| Coefficient C | -4.77630e-04 | |||
| Coefficient D | 1.92190e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 84.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 103.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 118.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 130.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 140.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 148.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 155.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 161.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 168.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 175.50 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pent-1-en-4-yn-3-yl radical.
Sources
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