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Cyanic acid


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

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.34253.AStephenson and Malanowski, 1987Based on data from 233. - 268. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
196.88 - 267.214.68431252.195-29.167Linhard, 1938Coefficents calculated by NIST from author's data.

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

EA (eV) Method Reference Comment
0.674 ± 0.031IMRBBorn, Ingemann, et al., 1996 

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


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

a' 1 OH stretch 3610 Ne IR Bondybey, English, et al., 1982
1 OH stretch 3569.6 s Ar IR Jacox and Milligan, 1964
Teles, Maier, et al., 1989
1 OH stretch 3536 Kr IR Pettersson, Khriachtchev, et al., 1999
1 OH stretch 3506 s N2 IR Jacox and Milligan, 1964
2 CN stretch 2302 gas IR Su, Kong, et al., 2000
2 CN stretch 2294 Ne IR Bondybey, English, et al., 1982
2 CN stretch 2286.3 vs Ar IR Jacox and Milligan, 1964
Teles, Maier, et al., 1989
Crowley and Sodeau, 1989
2 CN stretch 2291.1 Kr IR Pettersson, Khriachtchev, et al., 1999
2 CN stretch 2294 s N2 IR Jacox and Milligan, 1964
3 OH deform. 1227 Ne IR Bondybey, English, et al., 1982
3 OH deform. 1227.9 s Ar IR Jacox and Milligan, 1964
Teles, Maier, et al., 1989
Crowley and Sodeau, 1989
3 OH deform. 1220.6 Kr IR Pettersson, Khriachtchev, et al., 1999
3 OH deform. 1241 m N2 IR Jacox and Milligan, 1964
4 C-O stretch 1082 Ne IR Bondybey, English, et al., 1982
4 C-O stretch 1081.3 m Ar IR Jacox and Milligan, 1964
Teles, Maier, et al., 1989
Crowley and Sodeau, 1989
4 C-O stretch 1088.6 Kr IR Pettersson, Khriachtchev, et al., 1999
4 C-O stretch 1098 s N2 IR Jacox and Milligan, 1964
5 OCN deform. 460 w m N2 IR Jacox and Milligan, 1964

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

wWeak
mMedium
sStrong
vsVery strong

References

Go To: Top, Phase change 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.

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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