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o-Xylylene


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.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas220. ± 20.kJ/molIonPollack, Raine, et al., 1981 
Deltafgas254.kJ/molKinRoth and Scholz, 1981 

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

o-Xylylene = Bicyclo[4.2.0]octa-1,3,5-triene

By formula: C8H8 = C8H8

Quantity Value Units Method Reference Comment
Deltar-54.8kJ/molKinRoth and Scholz, 1981gas phase
Deltar-44.2 ± 1.9kJ/molCmRoth, Biermann, et al., 1978liquid phase

Bicyclo[4.2.0]octa-1,3,5-triene = o-Xylylene

By formula: C8H8 = C8H8

Quantity Value Units Method Reference Comment
Deltar46.4 ± 0.8kJ/molEqkRoth, Ebbrecht, et al., 1988gas phase

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:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Ar 326 403 Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988

State:   X


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

3105 w Ar IR Tseng and Michl, 1977
3070 w Ar IR Tseng and Michl, 1977
3045 w Ar IR Ra Tseng and Michl, 1977
2950 w Ar IR Tseng and Michl, 1977
1741 w Ar IR Tseng and Michl, 1977
1576 w Ar IR Ra Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988
1552 m Ar IR Ra Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988
1542 w Ar IR Tseng and Michl, 1977
1529 m Ar Ra Tseng and Michl, 1977
1493 m Ar IR Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988
1471 w Ar IR Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988
1465 w Ar IR Tseng and Michl, 1977
1427 w Ar IR Tseng and Michl, 1977
1333 w Ar IR Tseng and Michl, 1977
1303 w Ar IR Tseng and Michl, 1977
1293 m Ar Ra Tseng and Michl, 1977
1158 w Ar IR Tseng and Michl, 1977
1000 w Ar IR Tseng and Michl, 1977
953 w Ar IR Tseng and Michl, 1977
870 s Ar IR Ra Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988
866 w Ar IR Ra Tseng and Michl, 1977
779 w Ar IR Ra Tseng and Michl, 1977
776 s Ar IR Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988
754 m Ar IR McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988
742 m Ar IR Tseng and Michl, 1977
737 m Ar IR Tseng and Michl, 1977
675 m Ar IR Tseng and Michl, 1977
638 m Ar IR Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988
442 m Ar IR Tseng and Michl, 1977
McMahon and Chapman, 1987
Chapman, Johnson, et al., 1988

Additional references: Jacox, 1994, page 396

Notes

wWeak
mMedium
sStrong

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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.

Pollack, Raine, et al., 1981
Pollack, S.K.; Raine, B.C.; Hehre, W.J., Determination of the heats of formation of the isomeric xylylenes by ion cyclotron double-resonance spectroscopy, J. Am. Chem. Soc., 1981, 103, 6308-6313. [all data]

Roth and Scholz, 1981
Roth, W.R.; Scholz, B.P., Energy profile of the o-quinodimethane = benzocyclobutene equilibrium. Part 2., Chem. Ber., 1981, 114, 3741-3750. [all data]

Roth, Biermann, et al., 1978
Roth, W.R.; Biermann, M.; Dekker, H.; Jochems, R.; Mosselman, C.; Hermann, H., Energy profile of the o-quinodimethane-benzocyclobutene equilibrium, Chem. Ber., 1978, 111, 3892-3903. [all data]

Roth, Ebbrecht, et al., 1988
Roth, W.R.; Ebbrecht, T.; Beitat, A., o-Quinodimethane-benzocyclobutene equilibrium: oxygen trapping technique, Chem. Ber., 1988, 121, 1357-1358. [all data]

Tseng and Michl, 1977
Tseng, K.L.; Michl, J., An approach to biradical-like species. Spectroscopy of o-xylylene in argon matrix, J. Am. Chem. Soc., 1977, 99, 14, 4840, https://doi.org/10.1021/ja00456a059 . [all data]

McMahon and Chapman, 1987
McMahon, R.J.; Chapman, O.L., Direct spectroscopic observation of intramolecular hydrogen shifts in carbenes, J. Am. Chem. Soc., 1987, 109, 3, 683, https://doi.org/10.1021/ja00237a008 . [all data]

Chapman, Johnson, et al., 1988
Chapman, O.L.; Johnson, J.W.; McMahon, R.J.; West, P.R., Rearrangements of the isomeric tolylmethylenes, J. Am. Chem. Soc., 1988, 110, 2, 501, https://doi.org/10.1021/ja00210a032 . [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]


Notes

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