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II.A.1. (XV.A.)

Listing of experimental data for BeOH (beryllium hydroxide)

Other names
BeOH; Beryllium hydroxide;
INChI SMILES IUPAC name
InChI=1/Be.H2O/h;1H2/q+1;/p-1 [Be]O
State Conformation
2A' CS
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -99.73 40.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation -100.00 40.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 217.05   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 10.80   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 43.64   J K-1 mol-1 Gurvich
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
2 A' 1246 Shim      

Calculated vibrational frequencies for BeOH (beryllium hydroxide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
       

Calculated rotational constants for BeOH (beryllium hydroxide).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of beryllium hydroxide

Point Group Cs

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for BeOH (beryllium hydroxide).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-O 1
Be-O 1

Connectivity
Atom 1 Atom 2
O1 Be2
O1 H3

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   2A'
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for BeOH (beryllium hydroxide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for BeOH (beryllium hydroxide).

References
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squib reference DOI
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 10.1351/pac198961061027
Shim Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS NBS-39  

Got a better number? Please email us at cccbdb@nist.gov


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