- InChI
- InChI=1S/C3H3/c1-3-2/h1H,2H2
- InChI Key
- DITHIFQMPPCBCU-UHFFFAOYSA-N
- Formula
- C3H3
- SMILES
- C#C[CH2]
- Molecular Weight1
- 39.06
- CAS
- 2932-78-7
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 741.00 | kJ/mol | NIST |
| BasG | 708.50 | kJ/mol | NIST |
| ΔfG° | 249.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 339.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°(+) ion | 1180.00 | kJ/mol | NIST |
| ΔfusH° | 8.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 21.98 | kJ/mol | Joback Calculated Property |
| IE | [8.67; 8.68] | eV |
|
| IE | 8.67 ± 0.02 | eV | NIST |
| IE | 8.68 | eV | NIST |
| log10WS | -0.48 | Crippen Calculated Property | |
| logPoct/wat | 0.454 | Crippen Calculated Property | |
| McVol | 42.380 | ml/mol | McGowan Calculated Property |
| Pc | 5791.74 | kPa | Joback Calculated Property |
| Tboil | 257.46 | K | Joback Calculated Property |
| Tc | 424.70 | K | Joback Calculated Property |
| Tfus | 186.91 | K | Joback Calculated Property |
| Vc | 0.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [50.12; 69.88] | J/mol×K | [257.46; 424.70] |
|
| Cp,gas | 50.12 | J/mol×K | 257.46 | Joback Calculated Property |
| Cp,gas | 54.18 | J/mol×K | 285.33 | Joback Calculated Property |
| Cp,gas | 57.90 | J/mol×K | 313.21 | Joback Calculated Property |
| Cp,gas | 61.31 | J/mol×K | 341.08 | Joback Calculated Property |
| Cp,gas | 64.43 | J/mol×K | 368.95 | Joback Calculated Property |
| Cp,gas | 67.28 | J/mol×K | 396.83 | Joback Calculated Property |
| Cp,gas | 69.88 | J/mol×K | 424.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propargyl radical.
Sources
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