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Phosgene

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Gas phase thermochemistry data

Go To: Top, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-52.600kcal/molReviewChase, 1998Data last reviewed in June, 1961
Deltafgas-52.61 ± 0.23kcal/molCmDavies and Pritchard, 1972Heat of hydrolysis; ALS
Deltafgas-52.37 ± 0.14kcal/molEqkLord and Pritchard, 1970ALS
Deltafgas-50.07 ± 0.28kcal/molEqkLord and Pritchard, 1969Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -52.33 ± 0.08 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacgas-25.95 ± 0.10kcal/molEqkLord and Pritchard, 1970ALS
Quantity Value Units Method Reference Comment
gas,1 bar67.830cal/mol*KReviewChase, 1998Data last reviewed in June, 1961

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. - 600.600. - 6000.
A 8.75908018.68970
B 27.516110.785591
C -30.74111-0.181128
D 13.787500.013846
E -0.071681-0.786809
F -56.43050-60.52820
G 71.0662186.66611
H -52.60000-52.60000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1961 Data last reviewed in June, 1961

Condensed phase thermochemistry data

Go To: Top, Gas 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid46.080cal/mol*KN/AGiauque and Ott, 1960Data for liquid from 48GIA/JON.
liquid47.349cal/mol*KN/AGiauque and Jones, 1948A value of S0 of 6.82 J/mol*K has been added to the calorimetric value of S280-S0.

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
24.520160.55Giauque and Ott, 1960T = 13 to 160 K. Value is unsmoothed experimental datum.
24.089280.Giauque and Jones, 1948T = 15 to 280 K.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - 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

Chlorine anion + Phosgene = (Chlorine anion bullet Phosgene)

By formula: Cl- + CCl2O = (Cl- bullet CCl2O)

Quantity Value Units Method Reference Comment
Deltar12.5 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar6.5 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M

Carbon dioxide + Carbon Tetrachloride = 2Phosgene

By formula: CO2 + CCl4 = 2CCl2O

Quantity Value Units Method Reference Comment
Deltar16.8 ± 0.5kcal/molEqkLord and Pritchard, 1969gas phase; Two values for Hf; ALS
Deltar16.8 ± 0.5kcal/molEqkLord and Pritchard, 1969gas phase; Two values for Hf; ALS

Phosgene + Water = Carbon dioxide + 2Hydrogen chloride

By formula: CCl2O + H2O = CO2 + 2HCl

Quantity Value Units Method Reference Comment
Deltar-17.25 ± 0.22kcal/molCmDavies and Pritchard, 1972gas phase; Heat of hydrolysis; ALS

2Phosgene = Carbon dioxide + Carbon Tetrachloride

By formula: 2CCl2O = CO2 + CCl4

Quantity Value Units Method Reference Comment
Deltar-16.8 ± 0.5kcal/molEqkLord and Pritchard, 1969gas phase; ALS

References

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

Davies and Pritchard, 1972
Davies, J.V.; Pritchard, H.O., The enthalpy of formation of phosgene, J. Chem. Thermodyn., 1972, 4, 23-29. [all data]

Lord and Pritchard, 1970
Lord, A.; Pritchard, H.O., Thermodynamics of phosgene formation from carbon monoxide and chlorine, J. Chem. Thermodyn., 1970, 2, 187-191. [all data]

Lord and Pritchard, 1969
Lord, A.; Pritchard, H.O., Thermodynamics of the reaction between carbon dioxide and carbon tetrachloride, J. Chem. Thermodyn., 1969, 1, 495-498. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Giauque and Ott, 1960
Giauque, W.F.; Ott, J.B., The three melting points and heats of fusion of phosgene. Entropy of solids I and II, and atomic exchange disorder in solid II, J. Am. Chem. Soc., 1960, 82, 2689-2695. [all data]

Giauque and Jones, 1948
Giauque, W.F.; Jones, W.M., Carbonyl chloride. Entropy. Heat capacity. Vapor pressure. Heats of fusion and vaporization. Comments on solid sulfur dioxide structure, J. Am. Chem. Soc., 1948, 70, 120-124. [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]


Notes

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