HNCS
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Species data
Common Formula  HNCS 
Stoichiometric Formula  HNCS 
Name  Isothiocyanic acid 
Mass  58.98297 a.m.u 
Charge  0 
CAS  
Inchi  InChI=1S/CHNS/c213/h2H 
InchiKey  GRHBQAYDJPGGLFUHFFFAOYSAN 
State  Ground State

ISM Abundance
log_{10} Abundance  Reference  Source Name  Source Type  Link 

Polarizability
Evaluation  Definition  Value (Å^{3})  Method  Origin  Reference 

total  6.23  Calculations  Bibliography  Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435447 
Definition: total Value (Å^{3}): 6.23 Method: Calculations Origin: Bibliography Reference: Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435447 
Dipole moment
Evaluation  Value (D)  Method  Origin  Reference 

2.06  Calculations  Bibliography  Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435447 
Value (D):
2.06 Method: Calculations Origin: Bibliography Reference: Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435447 
Enthalpy of formation
Evaluation  T (K)  Value (kJ.mol^{1})  Method  Origin  Reference 

0  116  Calculations  Bibliography  Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435447 
T (K): 0
Value (kJ.mol^{1}) : 116 Method: Calculations Origin: Bibliography Reference: Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435447 
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 

4600 ±1380  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. 
E_{mean} (K): 4600 ±1380
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: 
Diffusion energy
No data