l-C3H3+
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Species data
| Common Formula | l-C3H3+ |
| Stoichiometric Formula | H3C3+ |
| Name | Propargyl cation |
| Mass | 39.02293 a.m.u |
| Charge | 1 |
| CAS | 21540-27-2 |
| Inchi | InChI=1S/C3H3/c1-3-2/h1H,2H2/q+1 |
| InchiKey | XWSPZAXIQPESSO-UHFFFAOYSA-N |
| State | Ground State
|
ISM Abundance
| log10 Abundance | Reference | Source Name | Source Type | Link |
|---|
Polarizability
| Evaluation | Definition | Value (Å3) | Method | Origin | Reference |
|---|---|---|---|---|---|
| total | 4.014 | Calculations | Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE |
|
Definition: total Value (Å3): 4.014 Method: Calculations Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference: |
Dipole moment
| Evaluation | Value (D) | Method | Origin | Reference |
|---|---|---|---|---|
| -0.401 | Calculations | Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE |
|
Value (D):
-0.401 Method: Calculations Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference: |
Enthalpy of formation
| Evaluation | T (K) | Value (kJ.mol-1) | Method | Origin | Reference |
|---|---|---|---|---|---|
| 0 | 1201.645 ±8 | Reviews and Evaluations | Database : Burcat | ||
| 298 | 1198.416 ±8 | Reviews and Evaluations | Database : Burcat | ||
| 298 | 1189 ±8 | Calculations | Bibliography | Vazquez, J. et al. ;2009;The journal of physical chemistry. A;113, 12447 |
|
T (K): 0
Value (kJ.mol-1) : 1201.645 ±8 Method: Reviews and Evaluations Origin: Other database Reference: |
|
T (K): 298
Value (kJ.mol-1) : 1198.416 ±8 Method: Reviews and Evaluations Origin: Other database Reference: |
|
T (K): 298
Value (kJ.mol-1) : 1189 ±8 Method: Calculations Origin: Bibliography Reference: Vazquez, J. et al. ;2009;The journal of physical chemistry. A;113, 12447 |
Desorption energy
No data
Diffusion energy
No data
