CH3S

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Species data

Common Formula	CH3S
Stoichiometric Formula	SCH3
Name	Methanethiolate
Mass	46.99555 a.m.u
Charge	0
CAS	7175-75-9
Inchi	InChI=1S/CH4S/c1-2/h2H,1H3/p-1
InchiKey	LSDPWZHWYPCBBB-UHFFFAOYSA-M
State	Ground State

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KIDA CH3S

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	5.16	Calculations	Bibliography	Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435-447

Definition: total Value (Å³): 5.16 Method: Calculations Origin: Bibliography Reference: Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435-447

Dipole moment

Evaluation	Value (D)	Method	Origin	Reference
	1.68	Calculations	Bibliography	Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435-447

Value (D): 1.68 Method: Calculations Origin: Bibliography Reference: Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435-447

Enthalpy of formation

Evaluation	T (K)	Value (kJ.mol^-1)	Method	Origin	Reference
	0	115	Calculations	Bibliography	Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435-447

T (K): 0 Value (kJ.mol^-1) : 115 Method: Calculations Origin: Bibliography Reference: Vidal, T.~H.~G. et al. ;2017;MNRAS;469, 435-447

Desorption energy

Evaluation	E_mean (K)	E_min (K)	E_max (K)	Pre-exponential factor (s^-1)	Order factor	Method	Origin	Reference	Type of surface	Description
	4200 ±1260	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.

E_mean (K): 4200 ±1260 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:

Diffusion energy

No data