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What is the enthalpy of formation of acrylonitrile?

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Abstract

Acrylonitrile is a key industrial compound with numerous uses. Despite its importance, its enthalpy of formation is still contentious. There is a 12 kJ mol−1 range of values reported for the gas phase quantity: 173–185 kJ mol−1. Quantum chemical calculations, using current methodologies and defining reactions, suggest values between 185 and 191 kJ mol−1: the recommended value, an average, is 188 ± 7 kJ mol−1.

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Notes

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Acknowledgments

The support of the Spanish Ministerio de Ciencia e Innovación under Project CTQ2007-60895/BQU is gratefully acknowledged. We also thank Arthur Greenberg and the referees for many helpful comments, questions, and suggestions on this manuscript.

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Authors and Affiliations

  1. Instituto de Química Física “Rocasolano”, CSIC, Serrano 119, 28006, Madrid, Spain

    Rafael Notario & Maria Victoria Roux

  2. Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, 1000 Hilltop Circle, Baltimore, MD, 21250-1000, USA

    Joel F. Liebman

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  1. Rafael Notario
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  2. Maria Victoria Roux
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  3. Joel F. Liebman
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Correspondence to Rafael Notario or Joel F. Liebman.

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Notario, R., Roux, M.V. & Liebman, J.F. What is the enthalpy of formation of acrylonitrile?. Struct Chem 21, 481–484 (2010). https://doi.org/10.1007/s11224-009-9574-1

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  • DOI: https://doi.org/10.1007/s11224-009-9574-1

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