Chlorine nitrate

Formula: ClNO₃
Molecular weight: 97.458
IUPAC Standard InChI: InChI=1S/ClNO3/c1-5-2(3)4
IUPAC Standard InChIKey: XYLGPCWDPLOBGP-UHFFFAOYSA-N
CAS Registry Number: 14545-72-3
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Phase change data

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Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity	Value	Units	Method	Reference	Comment
T_boil	295.5	K	N/A	Schack, 1967	Uncertainty assigned by TRC = 3. K

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Reaction thermochemistry data

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Data compiled by: John E. Bartmess

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 nitrate = ClN₂O₆^-

By formula: NO₃^- + ClNO₃ = ClN₂O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	85. ± 24.	kJ/mol	IMRB	Wincel, Mereand, et al., 1997	gas phase

Vibrational and/or electronic energy levels

Go To: Top, Phase change data, Reaction thermochemistry data, References, Notes

Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)		Med.	References


T_d = 25000	U	gas	Shamir, Yellin, et al., 1974

State: X

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


a'	1	NO₂ a-stretch	1736.9	vs	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Graham, Tuazon, et al., 1977 Ballard, Johnston, et al., 1988 Orphal, Morillon-Chapey, et al., 1997
	1	NO₂ a-stretch	1727.6	s	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	1	NO₂ a-stretch	1734.0	s	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	1	NO₂ a-stretch	1730.0	vs	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	2	NO₂ s-stretch	1292.84	vs	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Graham, Tuazon, et al., 1977 Ballard, Johnston, et al., 1988 Orphal, Morillon-Chapey, et al., 1994 Orphal, Morillon-Chapey, et al., 1997 Domenech, Flaud, et al., 1997
	2	NO₂ s-stretch	1285.8	vs	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	2	NO₂ s-stretch	1291.4	vs	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	2	NO₂ s-stretch	1289.7	s	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	3	ClO stretch	809.4	s	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Graham, Tuazon, et al., 1977 Ballard, Johnston, et al., 1988 Orphal, Morillon-Chapey, et al., 1997
	3	ClO stretch	801.6	m	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	3	ClO stretch	809.7	w m	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	3	ClO stretch	808.1	m	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	4	Mixed	780.22	m s	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Graham, Tuazon, et al., 1977 Ballard, Johnston, et al., 1988 Chiang and Lee, 1991
	4	Mixed	780.22	m s	gas	DL	Bell, Duxbury, et al., 1992 Xu, Blake, et al., 1996 McPheat and Duxbury, 1996 Orphal, Morillon-Chapey, et al., 1997
	4	Mixed	775.6	m	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	4	Mixed	778.6	m	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	4	Mixed	776.3	m	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	5	Mixed	563.1	s	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Orphal, Morillon-Chapey, et al., 1997
	5	Mixed	560.9	m s	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	5	Mixed	563.2	w m	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	5	Mixed	559.0	m	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	6	NO₂ rock	434.0	m	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Orphal, Morillon-Chapey, et al., 1997
	6	NO₂ rock	426		Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984
	6	NO₂ rock	436.5	w	N₂	IR	Griffith, Tyndall, et al., 1984
	6	NO₂ rock	435.0		O₂	IR	Tevault and Smardzewski, 1978
	7	ClO rock	273.3	w	gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Orphal, Morillon-Chapey, et al., 1997
a	8	NO₂ wag	711.21	w	gas	IR	Miller, Bernitt, et al., 1967 Orphal, Morillon-Chapey, et al., 1997 Flaud, Lafferty, et al., 2003
	8	NO₂ wag	710.8	w	Ar	IR	Bhatia, George-Taylor, et al., 1983 Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	8	NO₂ wag	708.4	w	N₂	IR	Griffith, Tyndall, et al., 1984 De Saxce and Schriver, 1992
	8	NO₂ wag	704.6	w m	O₂	IR	Tevault and Smardzewski, 1978 De Saxce and Schriver, 1992
	9	Torsion	123.72		gas	IR Ra	Miller, Bernitt, et al., 1967 Shamir, Yellin, et al., 1974 Fleming, 1977 Chance and Traub, 1982 Orphal, Morillon-Chapey, et al., 1997 Flaud, Lafferty, et al., 2003

Additional references: Jacox, 1994, page 288; Jacox, 1998, page 302; Jacox, 2003, page 301; Illies and Takacs, 1976; Suenram and Johnson, 1977; Suenram and Lovas, 1984; Davidson, Cantrell, et al., 1987; Casper, Lambotte, et al., 1993; Muller, Helminger, et al., 1997

Notes

Weak

Medium

Strong

Very strong

Upper bound

Photodissociation threshold

References

Go To: Top, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes

Schack, 1967
Schack, C.J., New Synthesis of Chlorine Nitrate, Inorg. Chem., 1967, 6, 1938-9. [all data]

Wincel, Mereand, et al., 1997
Wincel, H.; Mereand, E.; Castleman, A.W., Gas-phase reactions of ClONO2 with Cl-(D2O)(n=0-3) and NO2-, J. Phys. Chem. A, 1997, 101, 44, 8248-8254, https://doi.org/10.1021/jp9701146 . [all data]

Shamir, Yellin, et al., 1974
Shamir, J.; Yellin, D.; Claassen, H.H., Isr. J. Chem., 1974, 12, 1015. [all data]

Miller, Bernitt, et al., 1967
Miller, R.H.; Bernitt, D.L.; Hisatsune, I.C., Spectrochim. Acta, 1967, 23A, 223. [all data]

Graham, Tuazon, et al., 1977
Graham, R.A.; Tuazon, E.C.; Winer, A.M.; Pitts, J.N., Jr.; Molina, L.T.; Beaman, L.; Molina, M.J., High resolution infrared absorptivities for gaseous chlorine nitrate, Geophys. Res. Lett., 1977, 4, 1, 3, https://doi.org/10.1029/GL004i001p00003 . [all data]

Ballard, Johnston, et al., 1988
Ballard, J.; Johnston, W.B.; Gunson, M.R.; Wassell, P.T., Absolute absorption coefficients of ClONO, J. Geophys. Res., 1988, 93(D), D2, 1659, https://doi.org/10.1029/JD093iD02p01659 . [all data]

Orphal, Morillon-Chapey, et al., 1997
Orphal, J.; Morillon-Chapey, M.; Diallo, A.; Guelachvili, G., High-Resolution Infrared Spectra and Harmonic Force Field of Chlorine Nitrate, J. Phys. Chem. A, 1997, 101, 6, 10062, https://doi.org/10.1021/jp9619595 . [all data]

Bhatia, George-Taylor, et al., 1983
Bhatia, S.C.; George-Taylor, M.; Merideth, C.W.; Hall, J.H., Jr., Low-temperature infrared spectrum of chlorine nitrate and evidence for the existence of chlorine nitrate (ClOONO), J. Phys. Chem., 1983, 87, 7, 1091, https://doi.org/10.1021/j100230a001 . [all data]

Griffith, Tyndall, et al., 1984
Griffith, D.W.T.; Tyndall, G.S.; Burrows, J.P.; Moortgat, G.K., Matrix-isolation spectra of chlorine nitrate, Chem. Phys. Lett., 1984, 107, 3, 341, https://doi.org/10.1016/0009-2614(84)85141-6 . [all data]

De Saxce and Schriver, 1992
De Saxce, A.; Schriver, L., An infrared study of the UV photolysis of chlorine nitrate trapped in various matrices at 11 K, Chem. Phys. Lett., 1992, 199, 6, 596, https://doi.org/10.1016/0009-2614(92)85016-4 . [all data]

Tevault and Smardzewski, 1978
Tevault, D.E.; Smardzewski, R.R., Synthesis of chlorine nitrate by photolysis of nitrosyl chloride in solid oxygen at 10 K, J. Phys. Chem., 1978, 82, 4, 375, https://doi.org/10.1021/j100493a001 . [all data]

Orphal, Morillon-Chapey, et al., 1994
Orphal, J.; Morillon-Chapey, M.; Guelachvili, G., High-resolution absorption cross sections of chlorine nitrate in the ν, J. Geophys. Res., 1994, 99(D), D7, 14549, https://doi.org/10.1029/94JD00671 . [all data]

Domenech, Flaud, et al., 1997
Domenech, J.L.; Flaud, J.-M.; Fraser, G.T.; Andrews, A.M.; Lafferty, W.J.; Watson, P.L., Infrared Diode-Laser Molecular-Beam Spectrum of the ν2Band of Chlorine Nitrate at 1293 cm-1, J. Mol. Spectrosc., 1997, 183, 2, 228, https://doi.org/10.1006/jmsp.1997.7260 . [all data]

Chiang and Lee, 1991
Chiang, S.-Y.; Lee, Y.-P., Vibronic analysis of the A 2A1--X 2E laser-induced fluorescence of jet-cooled CH3S, J. Chem. Phys., 1991, 95, 1, 66, https://doi.org/10.1063/1.461786 . [all data]

Bell, Duxbury, et al., 1992
Bell, W.; Duxbury, G.; Stuart, D.D., High-resolution spectra of the ν4 band of chlorine nitrate, J. Mol. Spectrosc., 1992, 152, 2, 285, https://doi.org/10.1016/0022-2852(92)90069-Z . [all data]

Xu, Blake, et al., 1996
Xu, S.; Blake, T.A.; Sharpe, S.W., High-Resolution Infrared Spectroscopy of the ν4Fundamental Band of Chlorine Nitrate, J. Mol. Spectrosc., 1996, 175, 2, 303, https://doi.org/10.1006/jmsp.1996.0036 . [all data]

McPheat and Duxbury, 1996
McPheat, R.; Duxbury, G., Absorption coefficients of ClONO, J. Geophys. Res., 1996, 101(D), D3, 6803, https://doi.org/10.1029/95JD02927 . [all data]

Flaud, Lafferty, et al., 2003
Flaud, J.-M.; Lafferty, W.J.; Orphal, J.; Birk, M.; Wagner, G., First high-resolution analyses of the ν, Mol. Phys., 2003, 101, 10, 1527, https://doi.org/10.1080/0026897031000108087 . [all data]

Fleming, 1977
Fleming, J.W., Far infrared rotational and torsional absorption spectra of chlorine nitrate, Chem. Phys. Lett., 1977, 50, 1, 107, https://doi.org/10.1016/0009-2614(77)80690-8 . [all data]

Chance and Traub, 1982
Chance, K.V.; Traub, W.A., The torsional spectrum of chlorine nitrate, J. Mol. Spectrosc., 1982, 95, 2, 306, https://doi.org/10.1016/0022-2852(82)90131-X . [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]

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]

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]

Suenram and Johnson, 1977
Suenram, R.D.; Johnson, D.R., Microwave spectrum of chlorine nitrate (ClNO3), J. Mol. Spectrosc., 1977, 65, 2, 239, https://doi.org/10.1016/0022-2852(77)90191-6 . [all data]

Suenram and Lovas, 1984
Suenram, R.D.; Lovas, F.J., Millimeter wave spectrum of chlorine nitrate, J. Mol. Spectrosc., 1984, 105, 2, 351, https://doi.org/10.1016/0022-2852(84)90225-X . [all data]

Davidson, Cantrell, et al., 1987
Davidson, J.A.; Cantrell, C.A.; Shetter, R.E.; McDaniel, A.H.; Calvert, J.G., Absolute infrared absorption cross sections for ClONO, J. Geophys. Res., 1987, 92(D), D9, 10921, https://doi.org/10.1029/JD092iD09p10921 . [all data]

Casper, Lambotte, et al., 1993
Casper, B.; Lambotte, P.; Minkwitz, R.; Oberhammer, H., Gas-phase structures of chlorine and bromine nitrate (ClONO2 and BrONO2), J. Phys. Chem., 1993, 97, 39, 9992, https://doi.org/10.1021/j100141a017 . [all data]

Muller, Helminger, et al., 1997
Muller, H.S.P.; Helminger, P.; Young, S.H., Millimeter and Submillimeter Spectroscopy of Chlorine Nitrate: The Cl Quadrupole Tensor and the Harmonic Force Field, J. Mol. Spectrosc., 1997, 181, 2, 363, https://doi.org/10.1006/jmsp.1996.7183 . [all data]

Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

T_boil Boiling point

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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T_boil	Boiling point
Δ_rH°	Enthalpy of reaction at standard conditions