Skip to main content
SpringerLink
Log in

What is the enthalpy of formation of acrylic acid?

  • Original Paper
  • Published:
Structural Chemistry Aims and scope Submit manuscript

Abstract

Acrylic acid is a key industrial compound with numerous uses. Despite its importance, its enthalpy of formation is still contentious—even ignoring “ancient” determinations, there is a 12 kJ mol−1 range of values reported for the gas phase quantity, −320 to −332 kJ mol−1. Our quantum chemical calculations using current methodology suggest the value of −321 ± 3 kJ mol−1.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Bauer W Jr (2003) Kirk-Othmer encyclopedia of chemical technology, vol 1. John Wiley & Sons, Inc., p 349

  2. Bauer W Jr (2003) Kirk-Othmer encyclopedia of chemical technology, vol 1. John Wiley & Sons, Inc., p 343

  3. Chemical Week (2004) December 1/8, 52

  4. Skinner HA, Snelson A (1959) Trans Faraday Soc 55:404

    Article  CAS  Google Scholar 

  5. Vilcu R, Perisanu S (1980) Rev Roum Chim 25:619

    CAS  Google Scholar 

  6. Van-chin-syan Yu Ya, Kochubei VV, Sergeev VV, Raevskii Yu A, Gerasimchuk SI, Kotovich Kh Z (1996) Russ J Phys Chem (Engl Transl) 70:1789

    Google Scholar 

  7. Kharasch N (1929) Bur Stand J Res 3:359

    Google Scholar 

  8. Domalski ES (1972) J Phys Chem Ref Data 1:221

    Article  CAS  Google Scholar 

  9. Rüber CN, Schetelig J (1904) Zeit Phys Chem 48:345

    Google Scholar 

  10. Móureu Ch, Boutaric A (1920) J Chim Phys 18:348

    Google Scholar 

  11. Ratchford WP, Rehberg CE, Fisher CH (1944) J Am Chem Soc 66:1864

    Article  CAS  Google Scholar 

  12. Stull DR (1947) Ind Eng Chem 39:517

    Article  CAS  Google Scholar 

  13. Frurip DJ, Irikura KK (Eds) (1988) Computational thermochemistry: prediction and estimation of molecular thermodynamics. American Chemical Society Symposium Series 677, Washington, DC

    Google Scholar 

  14. Curtiss LA, Raghavachari K, Pople JA (1993) J Chem Phys 98:1293

    Article  CAS  Google Scholar 

  15. Curtiss LA, Raghavachari K, Trucks GW, Pople JA (1991) J Chem Phys 94:7221

    Article  CAS  Google Scholar 

  16. Curtiss LA, Raghavachari K, Redfern PC, Pople JA (1997) J Chem Phys 106:1063

    Article  CAS  Google Scholar 

  17. Curtiss LA, Raghavachari K, Redfern PC, Rassolov V, Pople JA (1998) J Chem Phys 109:7764

    Article  CAS  Google Scholar 

  18. Curtiss LA, Raghavachari K, Redfern PC, Pople JA (2000) J Chem Phys 112:7374

    Article  CAS  Google Scholar 

  19. Input enthalpies of formation were taken from the following: for CH4, CH2=CH2 and CH3CH3 from Manion, JA (2002) J Phys Chem Ref Data 31:123 while those for CH2O, CH3OH, C6H6 and C6H5COOH were taken from the evaluated compendium Cox JD, Pilcher G (1970) Thermochemistry of organic and organometallic compounds. Academic Press, New York

  20. Petersson GA, Malick DK, Wilson WG, Ochterski JW, Montgomery JA Jr, Frisch MJ (1998) J Chem Phys 109:10570

    Article  CAS  Google Scholar 

  21. Roux MV, Jiménez P, Dávalos JZ, Notario R, Juaristi E (2001) J Org Chem 66:5343

    Article  CAS  Google Scholar 

  22. Stull DR, Westrum EF Jr, Sinke GC (1987) The chemical thermodynamics of organic compounds (reprinted edition, Krieger, Malabar)

  23. Deakyne CA (2003) Intl J Mass Spectrom 227:601

    Article  CAS  Google Scholar 

  24. Benson SW (1976) Thermochemical kinetics (2nd ed). Wiley-Interscience, New York

    Google Scholar 

  25. Steele WV, Chirico RD, Knipmeyer SE, Nguyen A, Smith NK (1996) J Chem Eng Data 41:1285

    Article  CAS  Google Scholar 

Download references

Acknowledgments

We gratefully acknowledge the support of the Spanish MEC under Projects CTQ2006-12745 and FIS2004-02954-C03-01.

Author information

Authors and Affiliations

  1. Instituto de Química Física “Rocasolano”, CSIC, E-28006 Madrid, Madrid, Spain

    Rafael Notario & Maria Victoria Roux

  2. Rohm and Haas Company, 727 Norristown Road, P.O. Box 904, Spring House, PA, 19477, USA

    Daniel A. Bors

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

    Joel F. Liebman

Authors
  1. Rafael Notario
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Maria Victoria Roux
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Daniel A. Bors
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Joel F. Liebman
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding authors

Correspondence to Rafael Notario or Joel F. Liebman.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Notario, R., Roux, M.V., Bors, D.A. et al. What is the enthalpy of formation of acrylic acid?. Struct Chem 18, 395–398 (2007). https://doi.org/10.1007/s11224-007-9184-8

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11224-007-9184-8

Keywords

Search

Navigation