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zirconium tetrachloride

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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-869.98kJ/molReviewChase, 1998Data last reviewed in June, 1975
Quantity Value Units Method Reference Comment
gas,1 bar367.69J/mol*KReviewChase, 1998Data last reviewed in June, 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 (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. - 6000.
A 107.3761
B 0.608048
C -0.164909
D 0.014079
E -0.838515
F -904.8318
G 492.7413
H -869.9791
ReferenceChase, 1998
Comment Data last reviewed in June, 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-980.52kJ/molReviewChase, 1998Data last reviewed in June, 1975
Quantity Value Units Method Reference Comment
solid181.41J/mol*KReviewChase, 1998Data last reviewed in June, 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. - 1000.
A 125.3832
B 12.59330
C 2.041952
D -0.931342
E -0.845850
F -1021.319
G 324.5516
H -980.5204
ReferenceChase, 1998
Comment Data last reviewed in June, 1975

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tc778.2KN/ADenisova, Safronova, et al., 1967Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc57.70barN/ADenisova, Safronova, et al., 1967Uncertainty assigned by TRC = 0.56 bar; TRC
Pc58.50barN/ANisel'son, Stolyarov, et al., 1965Uncertainty assigned by TRC = 0.5841 bar; From value of Tc=503.5 deg C by Nisel'son and Sokolova, Russ. J. Inorg. Chem. 1962, 7, 1382, and VP measured to 500 deg; TRC
Quantity Value Units Method Reference Comment
Vc0.319l/molN/ADenisova, Safronova, et al., 1967Uncertainty assigned by TRC = 0.000319 l/mol; Vis, rect, VP, TE, sample by chlorination of metal cont. <0 Hf, other impurities 0.001% each; TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
463. - 604.8.740484954.507-36.557Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
98.9 ± 0.5512.TTangri and Bose, 1994Based on data from 405. - 518. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number sigma = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 377  B 388 ia gas 377 VS p gas Estimated from combination bands
e 2 Deg deform 98  B 102 ia gas 98 gas Estimated from combination bands
f2 3 Deg str 418  C 421 gas 418 VW gas
f2 4 Deg deform 113  C 112 gas 113 gas Estimated from combination bands

Source: Shimanouchi, 1972

Notes

VSVery strong
VWVery weak
iaInactive
pPolarized
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

Denisova, Safronova, et al., 1967
Denisova, N.D.; Safronova, E.K.; Pustil'nik, A.I.; Bystrova, O.N., Boundary Liqui-Vapor Curve and Saturated Vapour Pressure of Zirconium and Hafnium Tetrachlorides, Russ. J. Phys. Chem. (Engl. Transl.), 1967, 41, 30. [all data]

Nisel'son, Stolyarov, et al., 1965
Nisel'son, L.A.; Stolyarov, V.I.; Sokolova, T.D., Some Properties of Liquid Zirconium Tetrachloride, Russ. J. Phys. Chem. (Engl. Transl.), 1965, 39, 1614. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Tangri and Bose, 1994
Tangri, R.P.; Bose, D.K., Vapour pressure measurement of zirconium chloride and hafnium chloride by the transpiration technique, Thermochimica Acta, 1994, 244, 249-256, https://doi.org/10.1016/0040-6031(94)80224-6 . [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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