NH2CHO

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Species data
Common Formula NH2CHO
Stoichiometric Formula NH2CHO
Name formamide
Mass   45.02146 a.m.u
Charge   0
CAS   75-12-7
Inchi InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
InchiKey ZHNUHDYFZUAESO-UHFFFAOYSA-N
State Ground State
Electronic state

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KIDA NH2CHO

ISM Abundance  
log10 Abundance Reference Source Name Source Type Link
Polarizability  
Definition: total
Value 3): 3.645
Method: Calculations
Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE
Reference:
Dipole moment  
Value (D): 4.115
Method: Calculations
Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE
Reference:
Enthalpy of formation  
T (K): 0
Value (kJ.mol-1) : -178.241 ±8
Method: Reviews and Evaluations
Origin: Other database
Reference:
T (K): 298
Value (kJ.mol-1) : -189.598 ±8
Method: Reviews and Evaluations
Origin: Other database
Reference:
T (K): 298
Value (kJ.mol-1) : -186
Method: Measurements
Origin: Other database
Reference:
Desorption energy  
Emean (K): 6300 ±1890
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): 5556
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 NH2+HCO 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