Species CH3CH2OH - KIDA Database

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Species data

Common Formula	CH3CH2OH
Stoichiometric Formula	C2H5OH
Name	ethanol
Mass	46.04186 a.m.u
Charge	0
CAS	64-17-5
Inchi	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InchiKey	LFQSCWFLJHTTHZ-UHFFFAOYSA-N
State	Ground State

Search all reactions with CH3CH2OH

ISM Abundance

log10 Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å3)	Method	Origin	Reference
total	5.112	Measurements	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Definition: total Value (Å3): 5.112 Method: Measurements Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Dipole moment

Evaluation	Value (D)	Method	Origin	Reference
1.441	Measurements	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Value (D): 1.441 Method: Measurements Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Enthalpy of formation

Evaluation	T (K)	Value (kJ.mol-1)	Method	Origin	Reference
0	-217.641 ±0.22	Reviews and Evaluations	Database : Burcat
298	-234.95 ±0.22	Reviews and Evaluations	Database : Burcat
298	-234.8 ±0.5	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)
0	-217.08 ±0.5	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)

T (K): 0 Value (kJ.mol-1) : -217.641 ±0.22 Method: Reviews and Evaluations Origin: Other database Reference:

T (K): 298 Value (kJ.mol-1) : -234.95 ±0.22 Method: Reviews and Evaluations Origin: Other database Reference:

T (K): 298 Value (kJ.mol-1) : -234.8 ±0.5 Method: Measurements Origin: Other database Reference:

T (K): 0 Value (kJ.mol-1) : -217.08 ±0.5 Method: Measurements Origin: Other database Reference:

Desorption energy

Evaluation	Emean (K)	Emin (K)	Emax (K)	Pre-exponential factor (s-1)	Order factor	Method	Origin	Reference	Type of surface	Description
5400 ±1620	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.
6584	0	0	0.00E+0	1	Estimation	Database : OSU	H2O	This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH3OH+CH2 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).

Emean (K): 5400 ±1620 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): 6584 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 CH3OH+CH2 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992). Evaluation:

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Developped at Laboratoire d’Astrophysique de Bordeaux, Observatoire Aquitain des Science de l'Univers and University of Virginia.

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