O

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Species data

Common Formula	O
Stoichiometric Formula	O
Name	Oxygen atom
Mass	15.99491 a.m.u
Charge	0
CAS	17778-80-2
Inchi	InChI=1S/O
InchiKey	QVGXLLKOCUKJST-UHFFFAOYSA-N
State	Ground State

Search all reactions with O

KIDA O

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	0.79 ±0.03	Reviews and Evaluations	Bibliography	Schwerdtfeger, Peter et al. ;2019;Molecular Physics;117, 1200-1225
	total	0.802 ±0.01604	Calculations	Bibliography	Lide, D. R.. ;2000;

Definition: total Value (Å³): 0.79 ±0.03 Method: Reviews and Evaluations Origin: Bibliography Reference: Schwerdtfeger, Peter et al. ;2019;Molecular Physics;117, 1200-1225
Definition: total Value (Å³): 0.802 ±0.01604 Method: Calculations Origin: Bibliography Reference: Lide, D. R.. ;2000;

Dipole moment

Evaluation	Value (D)	Method	Origin	Reference
	0	N/A	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Value (D): 0 Method: N/A Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Enthalpy of formation

Evaluation	T (K)	Value (kJ.mol^-1)	Method	Origin	Reference
	0	246.79 ±0.002	Reviews and Evaluations	Database : Burcat
	298	249.175 ±0.002	Reviews and Evaluations	Database : Burcat
	298	249.23	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)
	0	246.84	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)

T (K): 0 Value (kJ.mol^-1) : 246.79 ±0.002 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : 249.175 ±0.002 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : 249.23 Method: Measurements Origin: Other database Reference:
T (K): 0 Value (kJ.mol^-1) : 246.84 Method: Measurements 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
	1660 ±60	0	0	1.00E+12	0	Measurements	Bibliography	He, J. et al. ;2015;Astrophysical Journal;801, 120	H2O / Amorphous / Porous
	1850 ±90	0	0	1.00E+12	0	Measurements	Bibliography	He, J. et al. ;2015;Astrophysical Journal;801, 120	SiOx / Silicate
	1600 ±480	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.
	1751			2.73E+13	1	Reviews and Evaluations	Bibliography	Minissale, Marco et al. ;2022;ACS Earth and Space Chemistry;,	Compact Amorphous Solid Water	Uncertainties are discussed in Minissale et al. (2022)
	1821			3.10E+13	1	Reviews and Evaluations	Bibliography	Minissale, Marco et al. ;2022;ACS Earth and Space Chemistry;,	Oxydized Highly-Oriented Pyrolytic Graphite	Uncertainties are discussed in Minissale et al. (2022)

E_mean (K): 1660 ±60 E _min (K): 0 E _max (K): 0 Pre-exponential factor (s^-1): 1.00E+12 Method: Measurements Origin: Bibliography Reference: He, J. et al. ;2015;Astrophysical Journal;801, 120 Type of surface: H2O / Amorphous / Porous Description: Evaluation:
E_mean (K): 1850 ±90 E _min (K): 0 E _max (K): 0 Pre-exponential factor (s^-1): 1.00E+12 Method: Measurements Origin: Bibliography Reference: He, J. et al. ;2015;Astrophysical Journal;801, 120 Type of surface: SiOx / Silicate Description: Evaluation:
E_mean (K): 1600 ±480 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:
E_mean (K): 1751 E _min (K): E _max (K): Pre-exponential factor (s^-1): 2.73E+13 Method: Reviews and Evaluations Origin: Bibliography Reference: Minissale, Marco et al. ;2022;ACS Earth and Space Chemistry;, Type of surface: Compact Amorphous Solid Water Description: Uncertainties are discussed in Minissale et al. (2022) Evaluation:
E_mean (K): 1821 E _min (K): E _max (K): Pre-exponential factor (s^-1): 3.10E+13 Method: Reviews and Evaluations Origin: Bibliography Reference: Minissale, Marco et al. ;2022;ACS Earth and Space Chemistry;, Type of surface: Oxydized Highly-Oriented Pyrolytic Graphite Description: Uncertainties are discussed in Minissale et al. (2022) Evaluation:

Diffusion energy

No data