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Carbonic chloride fluoride


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-102.00kcal/molReviewChase, 1998Data last reviewed in June, 1961
Quantity Value Units Method Reference Comment
gas,1 bar66.207cal/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 4.86031118.42740
B 37.043400.961710
C -40.30411-0.222008
D 17.409400.016986
E -0.023164-0.986227
F -104.8520-110.4310
G 62.5520183.82029
H -102.0000-102.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1961 Data last reviewed in June, 1961

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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
5.43196.AStephenson and Malanowski, 1987Based on data from 165. - 211. K. See also Fischer and Buchanan, 1964.
5.26192.N/AEmel«65533»us and Wood, 1948Based on data from 157. - 227. K.

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 474

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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:   Cs     Symmetry Number sigma = 1


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

a' 1 CO str 1868  C 1876 VS gas 1858 M liq. FR(«nu»2+«nu»3)
a' 1 CO str 1868  C 1847 VS gas 1832 M liq.
a' 2 CF str 1095  B 1095 S gas 1085 VW liq.
a' 3 CCl str 776  C 776 M gas 765 VS liq.
a' 4 CO deform 501  C 501 W gas 506 S liq.
a' 5 CClF deform 415  C 415 VW gas 410 M liq.
a 6 Op-deform 667  B 667 M gas 665 VW liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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]

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]

Fischer and Buchanan, 1964
Fischer, G.; Buchanan, AS, Vapour pressures of formyl fluoride and carbonyl chlorofluoride, Aust. J. Chem., 1964, 17, 4, 481-621, https://doi.org/10.1071/CH9640481 . [all data]

Emel«65533»us and Wood, 1948
Emel«65533»us, H.J.; Wood, J.F., 442. The preparation and reactions of carbonyl and sulphuryl fluorides and chlorofluorides, J. Chem. Soc., 1948, 2183, https://doi.org/10.1039/jr9480002183 . [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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