KIDA : Species C3H5

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Species data
Common Formula C3H5
Stoichiometric Formula C3H5
Name propenyl/allyl radical
Mass 41.03913 a.m.u
Charge 0
CAS 1981-80-2
Inchi InChI=1S/C3H5/c1-3-2/h3H,1-2H2
InchiKey RMRFFCXPLWYOOY-UHFFFAOYSA-N
State Ground State

Search all reactions with C3H5

KIDA C3H5 ISM Abundance
log10 Abundance Reference Source Name Source Type Link
Polarizability No data Dipole moment No data Enthalpy of formation
Evaluation T (K) Value (kJ.mol-1) Method Origin Reference
0 180.398 ±1.5 Reviews and Evaluations Database : Burcat
298 168.6 ±1.5 Reviews and Evaluations Database : Burcat
T (K): 0 Value (kJ.mol-1) : 180.398 ±1.5 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol-1) : 168.6 ±1.5 Method: Reviews and Evaluations Origin: Other database Reference:
Desorption energy
Evaluation Emean (K) Emin (K) Emax (K) Pre-exponential factor (s-1) Order factor Method Origin Reference Type of surface Description
3100 ±930 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.
4737 0 0 0.00E+0 1 Estimation Database : OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H4+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
Emean (K): 3100 ±930 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:
Emean (K): 4737 E min (K): 0 E max (K): 0 Pre-exponential factor (s-1): 0.00E+0 Method: Estimation Origin: Other database Reference: Type of surface: H2O Description: This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H4+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992). Evaluation:
Diffusion energy No data Credits spirale Contact MAILING LIST SUBSCRIBE
Developped at Laboratoire d’Astrophysique de Bordeaux, Observatoire Aquitain des Science de l'Univers and University of Virginia.
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