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Barium dichloride

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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
Deltafgas-498.73kJ/molReviewChase, 1998Data last reviewed in December, 1972
Quantity Value Units Method Reference Comment
gas,1 bar325.73J/mol*KReviewChase, 1998Data last reviewed in December, 1972

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 58.13584
B 0.055975
C -0.015197
D 0.001297
E -0.178051
F -516.6654
G 395.0692
H -498.7328
ReferenceChase, 1998
Comment Data last reviewed in December, 1972

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
Deltafliquid-832.47kJ/molReviewChase, 1998Data last reviewed in December, 1972
Quantity Value Units Method Reference Comment
liquid,1 bar143.52J/mol*KReviewChase, 1998Data last reviewed in December, 1972
Quantity Value Units Method Reference Comment
Deltafsolid-858.56kJ/molReviewChase, 1998Data last reviewed in December, 1972
Quantity Value Units Method Reference Comment
solid123.70J/mol*KReviewChase, 1998Data last reviewed in December, 1972

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) 1235. - 3000.
A 108.7840
B -1.780557×10-8
C 7.789019×10-9
D -1.141123×10-9
E -2.949307×10-9
F -879.4935
G 245.7866
H -832.4696
ReferenceChase, 1998
Comment Data last reviewed in December, 1972

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. - 1198.1198. - 1235.
A 49.87650177.1280
B 101.4460-106.5760
C -123.107077.38720
D 60.94480-19.51950
E 0.390979-4.461400
F -875.6500-939.4650
G 160.9450301.8050
H -858.5570-858.5570
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1972 Data last reviewed in December, 1972

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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.53 ± 0.07EIGotkis, Val'kov, et al., 1987LBLHLM
9.85SEmons, Kiessling, et al., 1982LBLHLM
9.6PELee and Potts, 1979LLK
9.37PELee and Potts, 1979, 2LLK
10.0PELee and Potts, 1979Vertical value; LLK
10.05 ± 0.02PELee and Potts, 1979, 2Vertical value; LLK
10.0PEHammer, Allen, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Ba+15.25 ± 0.07Cl2/2ClEIGotkis, Val'kov, et al., 1987LBLHLM
Ba+14.75Cl2SEmons, Kiessling, et al., 1982LBLHLM
Ba+15.43 ± 0.10?EIHildenbrand, 1970RDSH
BaCl+10.12 ± 0.04BaCl+ClEIGotkis, Val'kov, et al., 1987LBLHLM
BaCl+10.15ClSEmons, Kiessling, et al., 1982LBLHLM
BaCl+10.03 ± 0.10ClEIHildenbrand, 1970RDSH
BaCl+10.3 ± 0.3ClEIHildenbrand, 1970, 2RDSH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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]

Gotkis, Val'kov, et al., 1987
Gotkis, I.S.; Val'kov, P.G.; Krasnov, K.S., Mass-spectrometric investigation of the Ba, BaCl, and BaCl2 ionization processes, Russ. J. Phys. Chem., 1987, 4, 1331. [all data]

Emons, Kiessling, et al., 1982
Emons, H.-H.; Kiessling, D.; Horlbeck, W., Dampfdruckmessungen und massenspektrometrische untersuchungen der gasphase uber erdalkalimetallhalogeniden, Z. Anorg. Allg. Chem., 1982, 488, 219. [all data]

Lee and Potts, 1979
Lee, E.P.F.; Potts, A.W., The HeII «alpha» Photoelectron Spectra of the Barium Halides, Chem. Phys. Lett., 1979, 63, 61. [all data]

Lee and Potts, 1979, 2
Lee, E.P.F.; Potts, A.W., An investigation of the valence shell electronic structure of alkaline earth halides by using Ab initio S. C. F. calculations and photoelectron spectroscopy, Proc. R. Soc. London A:, 1979, 365, 395. [all data]

Hammer, Allen, et al., 1978
Hammer, C.A.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K., The high-temperature photoelectron spectra of alkaline-earth chlorides and iodides, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 149. [all data]

Hildenbrand, 1970
Hildenbrand, D.L., Electron impact studies of the IIA metal chlorides, Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 75. [all data]

Hildenbrand, 1970, 2
Hildenbrand, D.L., Dissociation energies and chemical bonding in the alkaline-earth chlorides from mass spectrometric studies, J. Chem. Phys., 1970, 52, 5751. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, References