Ethyne, chloro-


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.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas213.80kJ/molReviewChase, 1998Data last reviewed in December, 1968
Δfgas226. ± 10.kJ/molReviewManion, 2002estimate based on a diverse set of quantum calculations; DRB
Quantity Value Units Method Reference Comment
gas,1 bar241.99J/mol*KReviewChase, 1998Data last reviewed in December, 1968

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. to 1400.1400. to 6000.
A 54.0045679.66587
B 31.273603.739003
C -12.19971-0.683887
D 1.8816030.043788
E -0.710548-9.923236
F 194.0301169.7369
G 294.5498312.5067
H 213.8024213.8024
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1968 Data last reviewed in December, 1968

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.

Data compiled by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfliquid207. ± 10.kJ/molReviewManion, 2002derived from recommended ΔfHgas° and Δvap

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:
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δvap20. ± 1.kJ/molReviewManion, 2002extrapolation based on vapor pressure data of Bashford, Emeleus, et al., 1938 plus a correction for non-ideality; DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
21.8223.AStephenson and Malanowski, 1987Based on data from 204. to 238. K.; AC

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

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Individual Reactions

Ethylene, 1,2-dichloro-, (Z)- = Ethyne, chloro- + Hydrogen chloride

By formula: C2H2Cl2 = C2HCl + HCl

Quantity Value Units Method Reference Comment
Δr9.6kJ/molKinLaursen and Pimentel, 1989gas phase; Photolysis

References

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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]

Manion, 2002
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

Bashford, Emeleus, et al., 1938
Bashford, L.A.; Emeleus, H.J.; Briscoe, H.V.A., 255. The oxidation of chloroacetylene and bromoacetylene, J. Chem. Soc., 1938, 1358, https://doi.org/10.1039/jr9380001358 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Laursen and Pimentel, 1989
Laursen, S.L.; Pimentel, G.C., Matrix-induced intersystem crossing in the photochemistry of the 1,2-dichloroethenes, J. Phys. Chem., 1989, 93, 2328-2333. [all data]


Notes

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