- InChI
- InChI=1S/C4H5/c1-3-4-2/h1,4H,2H3
- InChI Key
- ULVFVBQUCTUAPR-UHFFFAOYSA-N
- Formula
- C4H5
- SMILES
- C#C[CH]C
- Molecular Weight1
- 53.08
- CAS
- 3315-42-2
- 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).
- ΔfH°(+) ion : Enthalpy of formation of positive ion 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).
- 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° | 255.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 216.54 | kJ/mol | Joback Calculated Property |
| ΔfH°(+) ion | 1080.00 | kJ/mol | NIST |
| ΔfusH° | 7.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.82 | kJ/mol | Joback Calculated Property |
| IE | 7.97 | eV | NIST |
| log10WS | -0.90 | Crippen Calculated Property | |
| logPoct/wat | 0.844 | Crippen Calculated Property | |
| McVol | 56.470 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| Tboil | 279.90 | K | Joback Calculated Property |
| Tc | 453.85 | K | Joback Calculated Property |
| Tfus | 183.18 | K | Joback Calculated Property |
| Vc | 0.206 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [74.81; 104.76] | J/mol×K | [279.90; 453.85] | 
|
| Cp,gas | 74.81 | J/mol×K | 279.90 | Joback Calculated Property |
| Cp,gas | 80.77 | J/mol×K | 308.89 | Joback Calculated Property |
| Cp,gas | 86.31 | J/mol×K | 337.88 | Joback Calculated Property |
| Cp,gas | 91.45 | J/mol×K | 366.87 | Joback Calculated Property |
| Cp,gas | 96.23 | J/mol×K | 395.86 | Joback Calculated Property |
| Cp,gas | 100.65 | J/mol×K | 424.86 | Joback Calculated Property |
| Cp,gas | 104.76 | J/mol×K | 453.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butyn-3-yl radical.
Sources
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