Revised group additivity values for enthalpies of formation (at 298 K) of carbon-hydrogen and carbon-hydrogen-oxygen compounds

Journal of Physical and Chemical Reference Data

Volumn 25, Issue 6, 1996, Pages 1411-1481

  Cohen, N ^a  

^a Thermochemical Kinetics Research   (United States)

Author keywords

Enthalpy of formation; Estimation; Group additivity; Organic compounds; Thermochemical properties

Indexed keywords

ESTIMATION; ORGANIC COMPOUNDS; THERMOCHEMISTRY;

ENTHALPIES OF FORMATION; ENTHALPY OF FORMATION; GROUP ADDITIVITY; GROUP ADDITIVITY METHODS; NEAREST-NEIGHBOR INTERACTIONS; ORGANIC MOLECULES; RING STRAINS; THERMOCHEMICAL PROPERTIES;

ENTHALPY;

EID: 0030376344     PISSN: 00472689     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.555988     Document Type: Article

References (29)

1. See S. W. Benson, Thermochemical Kinetics. 2nd ed. (Wiley, New York, 1976), and the references cited therein.
2. F. D. Rossini, K. S. Pitzer, R. L. Arnett, R. M. Braun, and G. C. Pimentel, Selected Values of Physical and Thermodynamic Properties of Hydrocarbons and Related Compounds, Comprising the Tables of the American Petroleum Institute Research Project 44 Extant as of December 31, 1952 (Carnegie Press, Pittsburgh, 1953).
3. D. R. Stull, E. G. Westrum, Jr., and G. C. Sinke, The Chemical Thermodynamics of Organic Compounds (Krieger, Malabar, FL, 1987).
4. J. D. Cox and G. Pilcher, Thermochemistry of Organic and Organometallic Compounds (Academic, London, 1970).
5. J. B. Pedley, R. D. Naylor, and S. P. Kirby, Thermochemical Data of Organic Compounds, 2nd ed. (Chapman and Hall, London, 1986).
6. Pedley has recently revised the compilation of Pedley, Naylor, and Kirby in Thermochemical Data and Structures of Organic Compounds (Thermodynamics Research Center, Texas A&M University, 1994), Vol. 1.
7. S. E. Stein, J. M. Rukkers, and R. L. Brown, NIST Structures & Properties Database and Estimation Program, NIST-SRD 25, Version 2.0 (1994).
8. N. Cohen, Aerospace Corp. Report No. ATR-94(7263)-1, April 1994.
9. K. Fajans, Chem. Ber. 53, 643 (1920); 55, 2826 (1922); M. S. Kharasch, J. Res. Natl. Bur. Stand. 2, 359 (1929).
10. K. Fajans, Chem. Ber. 53, 643 (1920); 55, 2826 (1922); M. S. Kharasch, J. Res. Natl. Bur. Stand. 2, 359 (1929).
11. K. Fajans, Chem. Ber. 53, 643 (1920); 55, 2826 (1922); M. S. Kharasch, J. Res. Natl. Bur. Stand. 2, 359 (1929).
12. S. W. Benson and J. H. Buss, J. Chem. Phys. 29, 546 (1958).
13. For a recent resume of the theory, see N. Cohen and S. W. Benson, in The Chemistry of Alkanes and Cycloalkanes, edited by S. Patai and Z. Rappoport (Wiley, New York, 1992), Chap. 6.
14. Reference 1, p. 26.
15. N. Cohen and S. W. Benson, Chem. Rev. 93, 2419 (1993).
16. S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, and W. G. Mallard, J. Phys. Chem. Ref. Data 17, Suppl. 1 (1988).
17. E. S. Domalski and E. D. Hearing, J. Phys. Chem. Ref. Data 22, 805 (1993).
18. M. S. Kharasch, J. Res. Natl. Bur. Stand. 2, 359 (1929).
19. Particular mention should be made of an unpublished supplement, kindly supplied by S. W. Benson, to H. K. Eigenmann, D. M. Golden, and S. W. Benson, J. Phys. Chem. 77, 1687 (1973), which contained references to a number of measurements not reported in other compilations.
20. N. Cohen, Aerospace Corp. Report No. ATR-93(7263)-2, 1993.
21. P. S. Nangia and S. W. Benson, J. Phys. Chem. 83, 1138 (1979).
22. L. G. S. Shum and S. W. Benson, Int. J. Chem. Kinet. 15, 323 (1983); S. P. Heneghan and S. W. Benson, ibid. 15, 815 (1983); O. Kondo and S. W. Benson, J. Phys. Chem. 88, 6675 (1984); S. W. Benson and N. Cohen (unpublished).
23. L. G. S. Shum and S. W. Benson, Int. J. Chem. Kinet. 15, 323 (1983); S. P. Heneghan and S. W. Benson, ibid. 15, 815 (1983); O. Kondo and S. W. Benson, J. Phys. Chem. 88, 6675 (1984); S. W. Benson and N. Cohen (unpublished).
24. L. G. S. Shum and S. W. Benson, Int. J. Chem. Kinet. 15, 323 (1983); S. P. Heneghan and S. W. Benson, ibid. 15, 815 (1983); O. Kondo and S. W. Benson, J. Phys. Chem. 88, 6675 (1984); S. W. Benson and N. Cohen (unpublished).
25. L. G. S. Shum and S. W. Benson, Int. J. Chem. Kinet. 15, 323 (1983); S. P. Heneghan and S. W. Benson, ibid. 15, 815 (1983); O. Kondo and S. W. Benson, J. Phys. Chem. 88, 6675 (1984); S. W. Benson and N. Cohen (unpublished).
26. W. V. Steele, R. D. Chirico, A. Nguyen, I. A. Hossenlopp, and N. K. Smith, in Results from the Design Institute for Physical Property Data: Experimental Results and Data Compilation Procedures, edited by J. R. Cunningham and D. K. Jones (AIChE Symposium Series, New York, 1990), Vol. 86, No. 279, pp. 138-154.
27. See, for example, Y. G. Wu, S. N. Patel, E. R. Ritter, and J. W. Bozzelli, Thermochim. Acta 222, 153 (1993).
28. H. K. Eigenmann, D. M. Golden, and S. W. Benson, J. Phys. Chem. 77, 1687 (1973).
29. Problematic compounds are discussed in more detail in Ref. 18 and in N. Cohen, Thermochemical Kinetics Research Report No. TKR 95-1, 1995.