Cyanic acid

• Formula: CHNO
• Molecular weight: 43.0247
• CAS Registry Number: 420-05-3
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
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Phase change 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:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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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 by: John E. Bartmess

Electron affinity determinations

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   X

Additional references: Jacox, 1994, page 163; Jacox, 2003, page 191; McLean, Loew, et al., 1977; Poppinger, Radom, et al., 1977; DeFrees, Loew, et al., 1982; Brunken, Gottlieb, et al., 2009

Notes

References

Go To: Top, Phase change data, Gas phase ion energetics 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.

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Linhard, 1938
Linhard, Martin, Der Dampfdruck fl«65533»ssiger Cyans«65533»ure, Z. Anorg. Allg. Chem., 1938, 236, 1, 200-208, https://doi.org/10.1002/zaac.19382360118 . [all data]

Born, Ingemann, et al., 1996
Born, M.; Ingemann, S.; Nibbering, N.M.M., Experimental Determination of the Enthalpies of Formation of Formyl Cyanide and Thioformyl Cyanide in the Gas Phase, J. Phys. Chem., 1996, 100, 44, 17662, https://doi.org/10.1021/jp9609141 . [all data]

Bondybey, English, et al., 1982
Bondybey, V.E.; English, J.H.; Mathews, C.W.; Contolini, R.J., Infrared spectra and isomerization of CHNO species in rare gas matrices, J. Mol. Spectrosc., 1982, 92, 2, 431, https://doi.org/10.1016/0022-2852(82)90113-8 . [all data]

Jacox and Milligan, 1964
Jacox, M.E.; Milligan, D.E., Low-Temperature Infrared Study of Intermediates in the Photolysis of HNCO and DNCO, J. Chem. Phys., 1964, 40, 9, 2457, https://doi.org/10.1063/1.1725546 . [all data]

Teles, Maier, et al., 1989
Teles, J.H.; Maier, G.; Hess, B.A., Jr.; Schaad, L.J.; Winnewisser, M.; Winnewisser, B.P., The CHNO Isomers, Chem. Ber., 1989, 122, 4, 753, https://doi.org/10.1002/cber.19891220425 . [all data]

Pettersson, Khriachtchev, et al., 1999
Pettersson, M.; Khriachtchev, L.; Jolkkonen, S.; Rasanen, M., Photochemistry of HNCO in Solid Xe: Channels of UV Photolysis and Creation of H, J. Phys. Chem. A, 1999, 103, 45, 9154, https://doi.org/10.1021/jp992224d . [all data]

Su, Kong, et al., 2000
Su, H.; Kong, F.; Chen, B.; Huang, M.-B.; Liu, Y., Reaction dynamics of electronically state-specific CH[sub 2] with NO, J. Chem. Phys., 2000, 113, 5, 1885, https://doi.org/10.1063/1.481992 . [all data]

Crowley and Sodeau, 1989
Crowley, J.N.; Sodeau, J.R., Reaction between hydrocyanic acid and O(1D2) or O(3P) oxygen atoms in low-temperature matrixes, J. Phys. Chem., 1989, 93, 8, 3100, https://doi.org/10.1021/j100345a044 . [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, 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]

McLean, Loew, et al., 1977
McLean, A.D.; Loew, G.H.; Berkowitz, D.S., Structures and spectra of the isomers HNCO, HOCN, HONC, and HCNO from ab initio quantum mechanical calculations, J. Mol. Spectrosc., 1977, 62, 2, 184, https://doi.org/10.1016/0022-2852(77)90258-2 . [all data]

Poppinger, Radom, et al., 1977
Poppinger, D.; Radom, L.; Pople, J.A., A theoretical study of the CHNO isomers, J. Am. Chem. Soc., 1977, 99, 24, 7806, https://doi.org/10.1021/ja00466a010 . [all data]

DeFrees, Loew, et al., 1982
DeFrees, D.J.; Loew, G.H.; McLean, A.D., The rotational spectra of HOCO/plus/, HOCN, HN3, and HNCO from quantum mechanical calculations, Astrophys. J., 1982, 254, 405, https://doi.org/10.1086/159745 . [all data]

Brunken, Gottlieb, et al., 2009
Brunken, S.; Gottlieb, C.A.; McCarthy, M.C.; Thaddeus, P., LABORATORY DETECTION OF HOCN AND TENTATIVE IDENTIFICATION IN Sgr B2, Astrophys. J., 2009, 697, 1, 880, https://doi.org/10.1088/0004-637X/697/1/880 . [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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