H2CCO

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Species data
Common Formula H2CCO
Stoichiometric Formula C2H2O
Name Ketene
Mass   42.01056 a.m.u
Charge   0
CAS   463-51-4
Inchi InChI=1S/C2H2O/c1-2-3/h1H2
InchiKey CCGKOQOJPYTBIH-UHFFFAOYSA-N
State Ground State
Electronic state

Search all reactions with H2CCO

KIDA H2CCO

ISM Abundance  
log10 Abundance Reference Source Name Source Type Link
Polarizability  
Definition: total
Value 3): 3.805
Method: Calculations
Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE
Reference:
Dipole moment  
Value (D): 1.42215
Method: Measurements
Origin: Bibliography
Reference: Lide, D. R.. ;2004;
Enthalpy of formation  
T (K): 0
Value (kJ.mol-1) : -45.46 ±0.15
Method: Reviews and Evaluations
Origin: Other database
Reference:
T (K): 298
Value (kJ.mol-1) : -48.579 ±0.15
Method: Reviews and Evaluations
Origin: Other database
Reference:
T (K): 298
Value (kJ.mol-1) : -47.7 ±1.6
Method: Measurements
Origin: Other database
Reference:
T (K): 0
Value (kJ.mol-1) : -44.51 ±1.6
Method: Measurements
Origin: Other database
Reference:
Desorption energy  
Emean (K): 2800 ±840
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): 2200
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 CH2+CO 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