H2O

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Species data
Common Formula H2O
Stoichiometric Formula H2O
Name Water
Mass   18.01056 a.m.u
Charge   0
CAS   7732-18-5
Inchi InChI=1S/H2O/h1H2
InchiKey XLYOFNOQVPJJNP-UHFFFAOYSA-N
State Ground State
Electronic state

Search all reactions with H2O

KIDA H2O

ISM Abundance  
log10 Abundance Reference Source Name Source Type Link
Polarizability  
Definition: xx
Value 3): 1.344
Method: Calculations
Origin: Bibliography
Reference: Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288
Definition: yy
Value 3): 1.478
Method: Calculations
Origin: Bibliography
Reference: Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288
Definition: zz
Value 3): 1.397
Method: Calculations
Origin: Bibliography
Reference: Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288
Definition: total
Value 3): 1.501
Method: Measurements
Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE
Reference:
Dipole moment  
Value (D): 1.8546 ±0.004
Method: Measurements
Origin: Bibliography
Reference: Lide, D. R.. ;2004;
Enthalpy of formation  
T (K): 0
Value (kJ.mol-1) : -238.922 ±0.03
Method: Reviews and Evaluations
Origin: Other database
Reference:
T (K): 298
Value (kJ.mol-1) : -241.826 ±0.03
Method: Reviews and Evaluations
Origin: Other database
Reference:
T (K): 298
Value (kJ.mol-1) : -241.81 ±0.03
Method: Measurements
Origin: Other database
Reference:
T (K): 0
Value (kJ.mol-1) : -238.9 ±0.03
Method: Measurements
Origin: Other database
Reference:
Desorption energy  
Emean (K): 5600 ±1680
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): 5705
E min (K):
E max (K):
Pre-exponential factor (s-1): 4.96E+15
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:  
Emean (K): 5792
E min (K):
E max (K):
Pre-exponential factor (s-1): 4.96E+15
Method: Reviews and Evaluations
Origin: Bibliography
Reference: Minissale, Marco et al. ;2022;ACS Earth and Space Chemistry;,
Type of surface: Highly-Oriented Pyrolytic Graphite
Description: Uncertainties are discussed in Minissale et al. (2022)
Evaluation:  
Emean (K): 5755
E min (K):
E max (K):
Pre-exponential factor (s-1): 4.96E+15
Method: Reviews and Evaluations
Origin: Bibliography
Reference: Minissale, Marco et al. ;2022;ACS Earth and Space Chemistry;,
Type of surface: Olivine
Description: Uncertainties are discussed in Minissale et al. (2022)
Evaluation:  
Emean (K): 5700
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. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
Evaluation:  
Diffusion energy  
E (K): 3036 ±156
Pre-exponential factor (cm2 s-1): 2.20E-1
Method: Measurements
Origin: Bibliography
Reference: Ghesquiere, P. et al. ;2015;Phys. Chem. Chem. Phys.;17, 11455-11468
Substrate: H2O ice / Amorphous
Type of diffusion: Bulk
Description: Arrhenius fit of experimental data for temperatures between 90 and 170K. The pre-exponantiel factor was fixed to 0.22 cm2 s-1.
Evaluation: