calcium dihydroxide
- Formula: CaH2O2
- Molecular weight: 74.093
- CAS Registry Number: 1305-62-0
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Gas phase thermochemistry data
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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°gas | -145.98 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1975 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 68.265 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1975 |
Gas 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 6000. |
---|---|
A | 19.38410 |
B | 3.589680 |
C | -0.731134 |
D | 0.051122 |
E | -0.249068 |
F | -152.7460 |
G | 89.28301 |
H | -145.9760 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1975 |
Condensed phase thermochemistry data
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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°solid | -235.68 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1975 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 19.92 | cal/mol*K | Review | Chase, 1998 | 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1000. |
---|---|
A | 31.26800 |
B | -19.76390 |
C | 29.34250 |
D | -12.04400 |
E | -0.600656 |
F | -246.3769 |
G | 59.07880 |
H | -235.6800 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1975 |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
H2CaO2 + 2 = CaCl2 + 2 + 2
By formula: H2CaO2 + 2C2HCl5 = CaCl2 + 2C2Cl4 + 2H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -43.40 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase |
H2CaO2 + 2 = CaCl2 + 2 + 2
By formula: H2CaO2 + 2C2H2Cl4 = CaCl2 + 2H2O + 2C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36. | kcal/mol | Cm | Kirkbride, 1956 | liquid phase |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9. ± 1. | EI | Farber, Srivastava, et al., 1987 |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby
Condensed Phase Spectrum
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Additional Data
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Particle size distribution data for this spectrum is available.
Owner | Public domain |
---|---|
Origin | Pacific Northwest National Laboratory Under IARPA Contract |
Date | March 2017 |
State | solid |
Instrument | Bruker Tensor 37 FTIR |
Aperture | 6 mm |
External diffuse reflectance accessory | A 562-G integrating sphere |
Beam splitter | Ge on KBr |
Diameter of detector port in sphere | 2×2 mm, 60° field of view MCT |
Sphere diameter | 75 mm |
Acquisition mode | double-sided, forward-backward |
Scanner velocity | 40 kHz |
Co-added scans | 2048 |
Phase resolution | 32.00 |
Phase correction | Mertz |
Zero filling | 4× |
Spectral range | 7,500 to 600 cm-1 saved; 7500 to 600 cm-1 reported |
Resolution | 0.96450084 |
Spectral resolution | 4 cm-1 |
Wavenumber accuracy | ± 0.4 cm-1 |
Apodization function | Blackman-Harris 3-term |
Low-pass filter | Open |
Switch gain on | 512 points |
Vibrational and/or electronic energy levels
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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 | 3782 | Ne | IR | Wang and Andrews, 2005 | |||
OH stretch | 3784.6 | Ar | IR | Andrews and Wang, 2005 Wang and Andrews, 2005 | |||
OH stretch | 3776.1 | H2 | IR | Wang and Andrews, 2005 | |||
OH stretch | 3771.3 | H2 | IR | Wang and Andrews, 2005 | |||
CaO a-stretch | 606.7 | Ne | IR | Wang and Andrews, 2005 | |||
CaO a-stretch | 592.4 | Ar | IR | Kauffman, Hauge, et al., 1984 Andrews and Wang, 2005 Wang and Andrews, 2005 | |||
CaO a-stretch | 578.2 | H2 | IR | Wang and Andrews, 2005 | |||
Additional references: Jacox, 1994, page 251
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [all data]
Farber, Srivastava, et al., 1987
Farber, M.; Srivastava, R.D.; Moyer, J.W.; Leeper, J.D.,
Effusion mass spectrometric determination of thermodynamic properties of the gaseous mono- and di-hydroxides of calcium and KCaO(g),
J. Chem. Soc. Faraday Trans. 2, 1987, 83, 3229. [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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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