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calcium dihydroxide


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
Deltafgas-145.98kcal/molReviewChase, 1998Data last reviewed in December, 1975
Quantity Value Units Method Reference Comment
gas,1 bar68.265cal/mol*KReviewChase, 1998Data 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. - 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
ReferenceChase, 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
Deltafsolid-235.68kcal/molReviewChase, 1998Data last reviewed in December, 1975
Quantity Value Units Method Reference Comment
solid19.92cal/mol*KReviewChase, 1998Data 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. - 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
ReferenceChase, 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 + 2Ethane, pentachloro- = CaCl2 + 2Tetrachloroethylene + 2Water

By formula: H2CaO2 + 2C2HCl5 = CaCl2 + 2C2Cl4 + 2H2O

Quantity Value Units Method Reference Comment
Deltar-43.40kcal/molCmKirkbride, 1956liquid phase

H2CaO2 + 2Ethane, 1,1,2,2-tetrachloro- = CaCl2 + 2Water + 2Trichloroethylene

By formula: H2CaO2 + 2C2H2Cl4 = CaCl2 + 2H2O + 2C2HCl3

Quantity Value Units Method Reference Comment
Deltar-36.kcal/molCmKirkbride, 1956liquid 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.EIFarber, 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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IR 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
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

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