barium hydroxide
- Formula: BaH2O2
- Molecular weight: 171.342
- IUPAC Standard InChIKey: RQPZNWPYLFFXCP-UHFFFAOYSA-L
- CAS Registry Number: 17194-00-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Barium dihydroxide
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Condensed phase thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -934.12 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1975 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 123.35 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1975 |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -946.30 | kJ/mol | Review | Chase, 1998 | α phase; Data last reviewed in December, 1975 |
Liquid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 681.15 to 2000. |
---|---|
A | 141.0010 |
B | -0.000005 |
C | 0.000005 |
D | -0.000001 |
E | 5.797300×10-8 |
F | -980.8830 |
G | 280.9910 |
H | -934.1230 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1975 |
Solid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 681. |
---|---|
A | 47.61430 |
B | 332.4140 |
C | -522.4290 |
D | 302.7000 |
E | -0.597935 |
F | -973.2540 |
G | 82.80510 |
H | -946.2950 |
Reference | Chase, 1998 |
Comment | α phase; Data last reviewed in December, 1975 |
Vibrational and/or electronic energy levels
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
OH stretch | 3723 | Ne | IR | Wang and Andrews, 2005 | |||
OH stretch | 3724.2 | Ar | IR | Andrews and Wang, 2005 Wang and Andrews, 2005 | |||
OH stretch | 3718 | H2 | IR | Wang and Andrews, 2005 | |||
BaO a-stretch | 422.8 | Ar | IR | Kauffman, Hauge, et al., 1984 Andrews and Wang, 2005 Wang and Andrews, 2005 | |||
BaO a-stretch | 410 | H2 | IR | Wang and Andrews, 2005 | |||
Additional references: Jacox, 1994, page 251
References
Go To: Top, Condensed phase thermochemistry data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Wang and Andrews, 2005
Wang, X.; Andrews, L.,
Infrared Spectra and Electronic Structure Calculations for the Group 2 Metal M(OH),
J. Phys. Chem. A, 2005, 109, 12, 2782, https://doi.org/10.1021/jp044660s
. [all data]
Andrews and Wang, 2005
Andrews, L.; Wang, X.,
Infrared Spectra of the Group 2 Metal Dihydroxide Molecules,
Inorg. Chem., 2005, 44, 1, 11, https://doi.org/10.1021/ic0483794
. [all data]
Kauffman, Hauge, et al., 1984
Kauffman, J.W.; Hauge, R.H.; Margrave, J.L.,
High Temp. Sci., 1984, 18, 97. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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