Nitryl chloride

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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
Δfgas2.899kcal/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
gas,1 bar65.055cal/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. to 1100.1100. to 6000.
A 7.48614119.47060
B 24.423900.222547
C -19.28150-0.044800
D 5.6086000.003091
E -0.043769-1.482240
F -0.405078-6.737080
G 67.3925983.12600
H 2.9001012.900101
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1965 Data last reviewed in December, 1965

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.024 EN/AFitting parameter used in numerical modeling.

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Henry's Law 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: Marilyn E. Jacox

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Td = 25000 U gas Illies and Takacs, 1976

State:   X


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

a1 1 NO2 s-stretch 1267.3 s gas IR Bernitt, Miller, et al., 1967
Durig, Kim, et al., 1994
1 NO2 s-stretch 1264.3 Ar IR Tevault and Smardzewski, 1977
2 NO2 scissors 792.76 s gas IR Bernitt, Miller, et al., 1967
Durig, Kim, et al., 1994
Duxbury and McPheat, 1995
2 NO2 scissors 787.0 Ar IR Tevault and Smardzewski, 1977
3 Cl-N stretch 363.8 vs gas IR Bernitt, Miller, et al., 1967
Durig, Kim, et al., 1994
3 Cl-N stretch 365.0 Ar IR Tevault and Smardzewski, 1977
b1 4 OPLA 651.7 w gas IR Bernitt, Miller, et al., 1967
Durig, Kim, et al., 1994
b2 5 NO2 a-stretch 1683.894 s gas IR Bernitt, Miller, et al., 1967
Orphal, Morillon-Chapey, et al., 1994
Durig, Kim, et al., 1994
5 NO2 a-stretch 1674.8 Ar IR Tevault and Smardzewski, 1977
6 NO2 rock 408.1 w gas IR Bernitt, Miller, et al., 1967

Additional references: Jacox, 1994, page 212; Jacox, 1998, page 259; Filgueira, Forti, et al., 1975; Endo, 1979

Notes

wWeak
sStrong
vsVery strong
UUpper bound
dPhotodissociation threshold

References

Go To: Top, Gas phase thermochemistry data, Henry's Law 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]

Illies and Takacs, 1976
Illies, A.J.; Takacs, G.A., Gas phase ultra-violet photoabsorption cross-sections for nitrosyl chloride and nitryl chloride, J. Photochem., 1976, 6, 1, 35, https://doi.org/10.1016/0047-2670(76)87005-0 . [all data]

Bernitt, Miller, et al., 1967
Bernitt, D.L.; Miller, R.H.; Hisatsune, I.C., Spectrochim. Acta, 1967, 23A, 237. [all data]

Durig, Kim, et al., 1994
Durig, J.R.; Kim, Y.H.; Guirgis, G.A.; McDonald, J.K., Spectrochim. Acta, 1994, 50A, 463. [all data]

Tevault and Smardzewski, 1977
Tevault, D.E.; Smardzewski, R.R., Matrix reactions of chlorine atoms with NO2 molecules, J. Chem. Phys., 1977, 67, 8, 3777, https://doi.org/10.1063/1.435319 . [all data]

Duxbury and McPheat, 1995
Duxbury, G.; McPheat, R., High-Resolution Absorption Spectrum of the ν2Band of Nitryl Chloride, ClNO2, at 793 cm-1, J. Mol. Spectrosc., 1995, 174, 2, 446, https://doi.org/10.1006/jmsp.1995.0015 . [all data]

Orphal, Morillon-Chapey, et al., 1994
Orphal, J.; Morillon-Chapey, M.; Guelachvili, G., The High-Resolution Infrared Spectrum of Nitryl Chloride: Rotational Analysis of the 35CINO2 ν4 Band Around 6 μm, J. Mol. Spectrosc., 1994, 165, 2, 315, https://doi.org/10.1006/jmsp.1994.1135 . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Filgueira, Forti, et al., 1975
Filgueira, R.R.; Forti, P.; Corbelli, G., Microwave spectrum and molecular force field of tetratomic C2v molecules: NO2Cl, J. Mol. Spectrosc., 1975, 57, 1, 97, https://doi.org/10.1016/0022-2852(75)90044-2 . [all data]

Endo, 1979
Endo, K., Nippon Kagaku Kaishi, 1979, 1129. [all data]


Notes

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