C3H5
Click on the icon info to get details.
Species data
Common Formula  C3H5 
Stoichiometric Formula  C3H5 
Name  propenyl/allyl radical 
Mass  41.03913 a.m.u 
Charge  0 
CAS  1981802 
Inchi  InChI=1S/C3H5/c132/h3H,12H2 
InchiKey  RMRFFCXPLWYOOYUHFFFAOYSAN 
State  Ground State

ISM Abundance
log_{10} 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  E_{mean} (K)  E_{min} (K)  E_{max} (K)  Preexponential 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 eprints;,  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 gasgrain code from Eric Herbst group in 2006. Energy of C3H4+H The preexponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992). 
E_{mean} (K): 3100 ±930
E _{min} (K): 0 E _{max} (K): 0 Preexponential factor (s^{1}): 0.00E+0 Method: Calculations Origin: Bibliography Reference: Wakelam, V. et al. ;2017;ArXiv eprints;, 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: 
E_{mean} (K): 4737
E _{min} (K): 0 E _{max} (K): 0 Preexponential 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 gasgrain code from Eric Herbst group in 2006. Energy of C3H4+H The preexponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992). Evaluation: 
Diffusion energy
No data