CH3SH
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Species data
Common Formula | CH3SH |
Stoichiometric Formula | CH3SH |
Name | Methanethiol |
Mass | 48.00337 a.m.u |
Charge | 0 |
CAS | 74-93-1 |
Inchi | InChI=1S/CH4S/c1-2/h2H,1H3 |
InchiKey | LSDPWZHWYPCBBB-UHFFFAOYSA-N |
Electronic State | |
Excitation | Ground State |
ISM Abundance
log_{10} Abundance | Reference | Source Name | Source Type | Link |
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Polarizability
Evaluation | Definition | Value (Å^{3}) | Method | Origin | Reference |
---|---|---|---|---|---|
total | 5.43 | Calculations | Bibliography | Vidal, T.~H.~G. et al. ;2017;\mnras;469, 435-447 |
Definition: total Value (Å^{3}): 5.43 Method: Calculations Origin: Bibliography Reference: Vidal, T.~H.~G. et al. ;2017;\mnras;469, 435-447 |
Dipole moment
Evaluation | Value (D) | Method | Origin | Reference |
---|---|---|---|---|
1.56 | Calculations | Bibliography | Vidal, T.~H.~G. et al. ;2017;\mnras;469, 435-447 |
Value (D):
1.56 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 |
---|---|---|---|---|---|
300 | -22.8 | Calculations | Database : NIST-WebBook |
T (K): 300
Value (kJ.mol^{-1}) : -22.8 Method: Calculations Origin: Other database Reference: |
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 |
---|---|---|---|---|---|---|---|---|---|---|
4000 ±1200 | 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): 4000 ±1200
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