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
Electronic State
Excitation

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ISM Abundance  
log10 Abundance Reference Source Name Source Type Link
Polarizability  
No data
Dipole moment  
No data
Enthalpy of formation  
No data
Desorption energy  
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