Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Hypochlorous acid

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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.

Quantity Value Units Method Reference Comment
Deltafgas-74.48kJ/molReviewChase, 1998Data last reviewed in March, 1979
Quantity Value Units Method Reference Comment
gas,1 bar236.50J/mol*KReviewChase, 1998Data last reviewed in March, 1979

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 1400.1400. - 6000.
A 30.5435353.98406
B 33.689651.452049
C -20.94787-0.247662
D 5.4219620.035130
E -0.143287-8.420845
F -85.38665-106.2853
G 263.4945283.2681
H -74.47520-74.47520
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1979 Data last reviewed in March, 1979

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: 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

ClO- + Hydrogen cation = Hypochlorous acid

By formula: ClO- + H+ = HClO

Quantity Value Units Method Reference Comment
Deltar1488. ± 4.6kJ/molD-EADistelrath and Boesl, 2000gas phase
Quantity Value Units Method Reference Comment
Deltar1461. ± 5.0kJ/molH-TSDistelrath and Boesl, 2000gas phase

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: 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
660.5900.LN/A 
930. MN/A 
480. MN/AThis value was extrapolated from data at T = 215. K and T = 263. K.
730. MN/A 
260.5100.TN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, 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 as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
11.12 ± 0.01PEColbourne, Frost, et al., 1978LLK
11.7 ± 0.2EIFisher, 1967RDSH

De-protonation reactions

ClO- + Hydrogen cation = Hypochlorous acid

By formula: ClO- + H+ = HClO

Quantity Value Units Method Reference Comment
Deltar1488. ± 4.6kJ/molD-EADistelrath and Boesl, 2000gas phase; B
Quantity Value Units Method Reference Comment
Deltar1461. ± 5.0kJ/molH-TSDistelrath and Boesl, 2000gas phase; B

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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 as indicated in comments:
J - Marilyn E. Jacox
Shim - Takehiko Shimanouchi

State:   X


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

a' 1 OH stretch 3609.48 gas IR Ashby, 1967
Su, Calvert, et al., 1979
Wells, Sams, et al., 1979
Deeley and Mills, 1985
Junttila, Lafferty, et al., 1994
1 OH stretch 3609.23 He IR Raston, Kelloway, et al., 2012
1 OH stretch 3607.8 Ne IR Yoshinobu, Akai, et al., 2009
1 OH stretch 3581 Ar IR Schwager and Arkell, 1967
2 Bend 1238.62 gas IR Hedberg and Badger, 1951
Ashby, 1971
Su, Calvert, et al., 1979
Niki, Maker, et al., 1979
Sams and Olson, 1980
Deeley and Mills, 1985
Lafferty and Olson, 1986
2 Bend 1238.9 Ne IR Yoshinobu, Akai, et al., 2009
2 Bend 1239 Ar IR Schwager and Arkell, 1967
3 OCl stretch 724.36 gas IR Ashby, 1971
Su, Calvert, et al., 1979
Niki, Maker, et al., 1979
Deeley and Mills, 1985
Lafferty and Olson, 1986
3 OCl stretch 728 Ar IR Schwager and Arkell, 1967

Additional references: Jacox, 1994, page 52; Jacox, 1998, page 155; Jacox, 2003, page 45; Mirri, Scappini, et al., 1971; Gillis Singbeil, Anderson, et al., 1984; Anderson, Gerry, et al., 1986; Deeley, 1987; Bellini, De Natale, et al., 1995; Vander Auwera, Kleffmann, et al., 2000; Zheng, Ulenikov, et al., 2001


References

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

Distelrath and Boesl, 2000
Distelrath, V.; Boesl, U., Mass selective gas phase study of ClO, OClO, ClOO and ClAr by anion-ZEKE-photoelectron spectroscopy, Faraday Disc. Chem. Soc., 2000, 115, 161-174, https://doi.org/10.1039/a909618c . [all data]

Colbourne, Frost, et al., 1978
Colbourne, D.; Frost, D.C.; McDowell, C.A.; Westwood, N.P.C., The photoelectron spectra of the isoelectronic molecules hypochlorous acid HOCl chloramine NH2Cl, J. Chem. Phys., 1978, 68, 3574. [all data]

Fisher, 1967
Fisher, I.P., Mass spectrometry study of intermediates in thermal decomposition of perchloric acid and chlorine dioxide, J. Chem. Soc. Faraday Trans., 1967, 63, 684. [all data]

Ashby, 1967
Ashby, R.A., The infrared spectrum of HOCl, J. Mol. Spectrosc., 1967, 23, 4, 439, https://doi.org/10.1016/0022-2852(67)90122-1 . [all data]

Su, Calvert, et al., 1979
Su, F.; Calvert, J.G.; Lindley, C.R.; Uselman, W.M.; Shaw, J.H., Fourier transform infrared kinetic study of hypochlorous acid and its absolute integrated infrared band intensities, J. Phys. Chem., 1979, 83, 8, 912, https://doi.org/10.1021/j100471a006 . [all data]

Wells, Sams, et al., 1979
Wells, J.S.; Sams, R.L.; Lafferty, W.J., The high resolution infrared spectrum of the «nu»1 band of HOCl, J. Mol. Spectrosc., 1979, 77, 3, 349, https://doi.org/10.1016/0022-2852(79)90177-2 . [all data]

Deeley and Mills, 1985
Deeley, C.M.; Mills, I.M., Vibration-rotation spectra and the harmonic force field of HOCl, J. Mol. Spectrosc., 1985, 114, 2, 368, https://doi.org/10.1016/0022-2852(85)90232-2 . [all data]

Junttila, Lafferty, et al., 1994
Junttila, M.-L.; Lafferty, W.J.; Burkholder, J.B., The High-Resolution Spectrum of the «nu»1 Band and Ground State Rotational Constants of HOCl, J. Mol. Spectrosc., 1994, 164, 2, 583, https://doi.org/10.1006/jmsp.1994.1102 . [all data]

Raston, Kelloway, et al., 2012
Raston, P.L.; Kelloway, D.D.; Jager, W., Infrared spectroscopy of HOCl embedded in superfluid helium nanodroplets: Probing the dynamical response of the solvent, J. Chem. Phys., 2012, 137, 1, 014302, https://doi.org/10.1063/1.4731283 . [all data]

Yoshinobu, Akai, et al., 2009
Yoshinobu, T.; Akai, N.; Kawai, A.; Shibuya, K., Neon matrix-isolation infrared spectrum of HOOCl measured upon the VUV-light irradiation of an HCl/O2 mixture, Chem. Phys. Lett., 2009, 477, 1-3, 70, https://doi.org/10.1016/j.cplett.2009.06.064 . [all data]

Schwager and Arkell, 1967
Schwager, I.; Arkell, A., None, J. Am. Chem. Soc., 1967, 89, 24, 6006, https://doi.org/10.1021/ja01000a002 . [all data]

Hedberg and Badger, 1951
Hedberg, K.; Badger, R.M., The Infrared Spectra of HOCl and DOCl, J. Chem. Phys., 1951, 19, 4, 508, https://doi.org/10.1063/1.1748265 . [all data]

Ashby, 1971
Ashby, R.A., On the infrared spectrum of HOCl, J. Mol. Spectrosc., 1971, 40, 3, 639, https://doi.org/10.1016/0022-2852(71)90264-5 . [all data]

Niki, Maker, et al., 1979
Niki, H.; Maker, P.D.; Savage, C.M.; Breitenbach, L.P., Fourier transform IR spectroscopic determination of the equilibrium constant for H2O + Cl2O = 2HOCl, Chem. Phys. lett., 1979, 66, 2, 325, https://doi.org/10.1016/0009-2614(79)85027-7 . [all data]

Sams and Olson, 1980
Sams, R.L.; Olson, W.B., Analysis of the high-resolution infrared spectrum of the «nu»2 bending mode of HOCl at 1238 cm-1, J. Mol. Spectrosc., 1980, 84, 1, 113, https://doi.org/10.1016/0022-2852(80)90244-1 . [all data]

Lafferty and Olson, 1986
Lafferty, W.J.; Olson, W.B., The high-resolution infrared spectra of the «nu»2 and «nu»3 bands of HOCl, J. Mol. Spectrosc., 1986, 120, 2, 359, https://doi.org/10.1016/0022-2852(86)90010-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]

Mirri, Scappini, et al., 1971
Mirri, A.M.; Scappini, F.; Cazzoli, G., Microwave spectrum, structure and electric quadrupole coupling constants of HOCl, J. Mol. Spectrosc., 1971, 38, 2, 218, https://doi.org/10.1016/0022-2852(71)90107-X . [all data]

Gillis Singbeil, Anderson, et al., 1984
Gillis Singbeil, H.E.; Anderson, W.D.; Davis, R.W.; Gerry, M.C.L.; Cohen, E.A.; Pickett, H.M.; Lovas, F.J.; Suenram, R.D., The microwave and millimeter-wave spectra of hypochlorous acid, J. Mol. Spectrosc., 1984, 103, 2, 466, https://doi.org/10.1016/0022-2852(84)90069-9 . [all data]

Anderson, Gerry, et al., 1986
Anderson, W.D.; Gerry, M.C.L.; Davis, R.W., The microwave spectrum of isotopically substituted hypochlorous acid: Determination of the molecular structure, J. Mol. Spectrosc., 1986, 115, 1, 117, https://doi.org/10.1016/0022-2852(86)90280-8 . [all data]

Deeley, 1987
Deeley, C.M., Vibration-rotation spectra of deuterated hypochlorous acid and the determination of the equilibrium structure, J. Mol. Spectrosc., 1987, 122, 2, 481, https://doi.org/10.1016/0022-2852(87)90022-1 . [all data]

Bellini, De Natale, et al., 1995
Bellini, M.; De Natale, P.; Fusina, L.; Modugno, G., The Pure Rotation Spectrum of HOCl in the Submillimeter-Wave Region, J. Mol. Spectrosc., 1995, 172, 2, 559, https://doi.org/10.1006/jmsp.1995.1202 . [all data]

Vander Auwera, Kleffmann, et al., 2000
Vander Auwera, J.; Kleffmann, J.; Flaud, J.-M.; Pawelke, G.; Burger, H.; Hurtmans, D.; Petrisse, R., Absolute «nu»2 Line Intensities of HOCl by Simultaneous Measurements in the Infrared with a Tunable Diode Laser and Far-Infrared Region Using a Fourier Transform Spectrometer, J. Mol. Spectrosc., 2000, 204, 1, 36, https://doi.org/10.1006/jmsp.2000.8197 . [all data]

Zheng, Ulenikov, et al., 2001
Zheng, J.-J.; Ulenikov, O.N.; Bekhtereva, E.S.; Ding, Y.; He, S.-G.; Hu, S.-M.; Wang, X.-H.; Zhu, Q.-S., High-Resolution Rotational Analysis of Deuterated Hypochlorous Acid: Ground State, (100), and (020) Vibrational States, J. Mol. Spectrosc., 2001, 209, 1, 105, https://doi.org/10.1006/jmsp.2001.8412 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References