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Isocyanic acid


Reaction 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.

Data compiled by: John E. Bartmess

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Individual Reactions

CNO- + Hydrogen cation = Isocyanic acid

By formula: CNO- + H+ = CHNO

Quantity Value Units Method Reference Comment
Deltar341.18 ± 0.61kcal/molD-EABradforth, Kim, et al., 1993gas phase; D-EA cycle requires a DH ca 4 kcal/mol weaker
Deltar344.7 ± 2.1kcal/molG+TSWight and Beauchamp, 1980gas phase
Quantity Value Units Method Reference Comment
Deltar334.74 ± 0.71kcal/molH-TSBradforth, Kim, et al., 1993gas phase; D-EA cycle requires a DH ca 4 kcal/mol weaker
Deltar338.3 ± 2.0kcal/molIMREWight and Beauchamp, 1980gas phase

(CAS Reg. No. 1140500-24-8 bullet 4294967295Isocyanic acid) + Isocyanic acid = CAS Reg. No. 1140500-24-8

By formula: (CAS Reg. No. 1140500-24-8 bullet 4294967295CHNO) + CHNO = CAS Reg. No. 1140500-24-8

Quantity Value Units Method Reference Comment
Deltar43.1 ± 3.0kcal/molN/ATaft, 1987gas phase; value altered from reference due to change in acidity scale

(CAS Reg. No. 67131-48-0 bullet 4294967295Isocyanic acid) + Isocyanic acid = CAS Reg. No. 67131-48-0

By formula: (CAS Reg. No. 67131-48-0 bullet 4294967295CHNO) + CHNO = CAS Reg. No. 67131-48-0

Quantity Value Units Method Reference Comment
Deltar58.1 ± 2.2kcal/molN/ATaft, 1987gas phase; value altered from reference due to change in acidity scale

References

Go To: Top, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bradforth, Kim, et al., 1993
Bradforth, S.E.; Kim, E.H.; Arnold, D.W.; Neumark, D.M., Photoelectron Spectroscopy of CN-, NCO-, and NCS-, J. Chem. Phys., 1993, 98, 2, 800, https://doi.org/10.1063/1.464244 . [all data]

Wight and Beauchamp, 1980
Wight, C.A.; Beauchamp, J.L., Acidity, basicity, and ion/molecule reactions of isocyanic acid in the gas phase by ICR spectroscopy, J. Phys. Chem., 1980, 84, 2503. [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]


Notes

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