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Carbonyl chloride


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-15.00kcal/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
gas,1 bar63.568cal/mol*KReviewChase, 1998Data last reviewed in December, 1965

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. - 1000.1000. - 6000.
A 9.95871013.43390
B 4.3575410.271019
C -1.114441-0.055678
D -0.2636890.003904
E -0.033675-0.758150
F -18.26540-20.84240
G 74.1822977.28719
H -15.00000-15.00000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1965 Data last reviewed in December, 1965

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, NIST Free Links, 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: Marilyn E. Jacox

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' 1 CO stretch 1884.59 gas IR Chen, Chu, et al., 2001
1 CO stretch 1876.7 vs Ar IR Jacox and Milligan, 1965
Schnockel, Eberlein, et al., 1992
Fridgen and Parnis, 1997
1 CO stretch 1880 vs CO IR Jacox and Milligan, 1965
2 Bend 334.6 Ar IR Schnockel, Eberlein, et al., 1992
3 CCl stretch 570.1 s Ar IR Jacox and Milligan, 1965
Schnockel, Eberlein, et al., 1992
Fridgen and Parnis, 1997
3 CCl stretch 570 s CO IR Jacox and Milligan, 1965

Additional references: Jacox, 1994, page 90; Jacox, 2003, page 135

Notes

sStrong
vsVery strong

References

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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]

Chen, Chu, et al., 2001
Chen, S.-H.; Chu, L.-K.; Chen, Y.-J.; Chen, I-C.; Lee, Y.-P., Detection of ClCO with time-resolved Fourier-transform infrared absorption spectroscopy, Chem. Phys. Lett., 2001, 333, 5, 365, https://doi.org/10.1016/S0009-2614(00)01372-5 . [all data]

Jacox and Milligan, 1965
Jacox, M.E.; Milligan, D.E., Matrix Isolation Study of the Reaction of Cl Atoms with CO. The Infrared Spectrum of the Free Radical ClCO, J. Chem. Phys., 1965, 43, 3, 866, https://doi.org/10.1063/1.1696861 . [all data]

Schnockel, Eberlein, et al., 1992
Schnockel, H.; Eberlein, R.A.; Plitt, H.S., Infrared spectra of matrix isolated ClCO and ab initio calculation, J. Chem. Phys., 1992, 97, 1, 4, https://doi.org/10.1063/1.463980 . [all data]

Fridgen and Parnis, 1997
Fridgen, T.D.; Parnis, J.M., Gas-Phase Ion Chemistry of Oxalyl Chloride: An Electron Bombardment Matrix Isolation FTIR Spectroscopic Study, J. Phyd. Chem. A, 1997, 101, 28, 5117, https://doi.org/10.1021/jp971061v . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]


Notes

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