# C2H5CHO

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Species data
 Common Formula C2H5CHO Stoichiometric Formula C3H6O Name Propanal Mass 58.04186 a.m.u Charge 0 CAS 123-38-6 Inchi 1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 InchiKey NBBJYMSMWIIQGU-UHFFFAOYSA-N Electronic State Excitation Ground

ISM Abundance
log10 Abundance Reference Source Name Source Type Link
Polarizability
 Definition: total Value (Å3): 6.06 Method: Calculation Origin: Bibliography Reference: Loison, J.-C. et al. ;2017;\mnras;470, 4075-4088
Dipole moment
 Value (D): 2.8 Method: Calculations Origin: Bibliography Reference: Loison, J.-C. et al. ;2017;\mnras;470, 4075-4088
Enthalpy of formation
 T (K): 0 Value (kJ.mol-1) : -189 Method: Calculations Origin: Bibliography Reference: Loison, J.-C. et al. ;2017;\mnras;470, 4075-4088
Desorption energy
 Emean (K): 4500 ±1350 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