CH3NCO
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Species data
| Common Formula | CH3NCO |
| Stoichiometric Formula | C2H3NO |
| Name | Methyl isocyanate |
| Mass | 57.02146 a.m.u |
| Charge | 0 |
| CAS | 624-83-9 |
| Inchi | InChI=1S/C2H3NO/c1-3-2-4/h1H3 |
| InchiKey | HAMGRBXTJNITHG-UHFFFAOYSA-N |
| State |
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ISM Abundance
| log10 Abundance | Reference | Source Name | Source Type | Link |
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Polarizability
No data
Dipole moment
No data
Enthalpy of formation
No data
Desorption energy
| Evaluation | Emean (K) | Emin (K) | Emax (K) | Pre-exponential factor (s-1) | Order factor | Method | Origin | Reference | Type of surface | Description |
|---|---|---|---|---|---|---|---|---|---|---|
| 4700 ±1410 | 0 | 0 | 0.00E+0 | 1 | Calculations | Bibliography | Wakelam, V. et al. ;2017;ArXiv e-prints;, | H2O | To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation. |
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Emean (K): 4700 ±1410
E min (K): 0 E max (K): 0 Pre-exponential factor (s-1): 0.00E+0 Method: Calculations Origin: Bibliography Reference: Wakelam, V. et al. ;2017;ArXiv e-prints;, Type of surface: H2O Description: To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation. Evaluation: |
Diffusion energy
No data
