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

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ISM Abundance  
log10 Abundance Reference Source Name Source Type Link
Polarizability  
Definition: total
Value 3): 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