Hypochlorous acid

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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
Δfgas-17.80kcal/molReviewChase, 1998Data last reviewed in March, 1979
Quantity Value Units Method Reference Comment
gas,1 bar56.525cal/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 (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 1400.1400. to 6000.
A 7.30007912.90250
B 8.0520200.347048
C -5.006662-0.059193
D 1.2958810.008396
E -0.034246-2.012631
F -20.40790-25.40280
G 62.9767067.70270
H -17.80000-17.80000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1979 Data last reviewed in March, 1979

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
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

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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 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
Δr355.6 ± 1.1kcal/molD-EADistelrath and Boesl, 2000gas phase; B
Quantity Value Units Method Reference Comment
Δr349.1 ± 1.2kcal/molH-TSDistelrath and Boesl, 2000gas phase; B

References

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

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]

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]


Notes

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