CH2CCH2

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Species data
Common Formula CH2CCH2
Stoichiometric Formula C3H4
Name 1,2-propadiene
Mass   40.03130 a.m.u
Charge   0
CAS   463-49-0
Inchi InChI=1S/C3H4/c1-3-2/h1-2H2
InchiKey IYABWNGZIDDRAK-UHFFFAOYSA-N
Electronic State
Excitation Ground State

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KIDA CH2CCH2

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): 3000 ±900
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