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calcium chloride

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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
Deltafgas-471.54kJ/molReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
gas,1 bar290.26J/mol*KReviewChase, 1998Data last reviewed in June, 1970

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 3000. - 6000.
A 62.17550
B 0.155797
C -0.042199
D 0.003598
E -0.260056
F -490.9547
G 363.9934
H -471.5368
ReferenceChase, 1998
Comment Data last reviewed in June, 1970

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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
Deltafliquid-774.09kJ/molReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
liquid,1 bar123.87J/mol*KReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
Deltafsolid-795.80kJ/molReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
solid104.62J/mol*KReviewChase, 1998Data last reviewed in June, 1970

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) 1045. - 3000.
A 102.5331
B 2.006254×10-8
C -9.234423×10-9
D 1.407022×10-9
E 2.609206×10-9
F -815.0014
G 225.6381
H -774.0944
ReferenceChase, 1998
Comment Data last reviewed in June, 1970

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. - 1045.
A 87.29581
B -35.07644
C 44.12781
D -9.848049
E -0.674264
F -822.9008
G 215.0522
H -795.7968
ReferenceChase, 1998
Comment Data last reviewed in June, 1970

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, 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: 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-181.6kJ/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-150.kJ/molCmKirkbride, 1956liquid phase

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction 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: 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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Detailed documentation for this spectrum is available.

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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, References