Thermochemical and theoretical study of tert-butyl and di-tert- butylphenol isomers

Journal of Organic Chemistry

Volumn 64, Issue 24, 1999, Pages 8816-8820

  Ribeiro Da Silva, M A V ^a   Matos, M A R ^a   Morais, V M F ^a   Miranda, M S ^a  

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

PHENOL DERIVATIVE;

ARTICLE; CALORIMETRY; CHEMICAL ANALYSIS; CHEMICAL REACTION; COMBUSTION; ENTHALPY; EVAPORATION; THEORY;

EID: 0033607761     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo990801o     Document Type: Article

References (28)

1. Borges dos Santos, R.; Martinho Simões, J. A. J. Phys. Chem. Ref. Data 1998, 27, 708.
2. Handbook of Chemistry and Physics, 70th ed.; Weast, R. C., Ed.; CRC Press Inc.: Cleveland, OH, 1989-1990.
3. Ribeiro da Silva, M. A. V.; Ribeiro da Silva, M. D. M. C.; Pilcher, G. Rev. Port. Quim. 1984, 26, 163.
4. Ribeiro da Silva, M. A. V.; Ribeiro da Silva, M. D. M. C.; Pilcher, G. J. Chem. Thermodyn. 1984, 16, 1149.
5. Coops, J.; Jessup, R. S.; Van Nes, K. Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol. 1, Chapter 3.
6. The NBS Tables of Chemical Thermodynamic Properties. J. Phys. Chem. Ref. Data 1982.
7. Skinner, H. A.; Snelson, A. Trans. Faraday Soc. 1960, 56, 1776.
8. Hubbard, W. N.; Scott, D. W.; Waddington, G. Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol. 1, Chapter 5.
9. I. U. P. A. C. J. Phys. Chem. Ref. Data 1997, 26, 1239.
10. Adedeji, F. A.; Brown, D. L. S.; Connor, J. A.; Leung, M.; Paz-Andrade, M. I.; Skinner, H. A. J. Organomet. Chem. 1975, 97, 221.
11. Ribeiro da Silva, M. A. V.; Matos, M. A. R.; Amaral, L. M. P. F. J. Chem. Thermodyn. 1995, 27, 565.
12. Stull, D. R.; Westrum, E. F.; Sinke, G. C. The Chemical Thermodynamics of Organic Compounds; Wiley: New York, 1969.
13. Pedley, J. B. Thermochemical Data and Structures of Organic Compounds; TRC Data Series: College Station, TX, 1994; Vol. I.
14. Rossini, F. D. Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol. 1, Chapter 14, pp 297-320.
15. J. Chem. Thermodyn. 1978, 10, 903.
16. Binkley, J. S.; Pople, J. A.; Hehre, J. W. J. Am. Chem. Soc. 1880, 102, 939. Gordon, J. S. Binkley, M. S., Pople, J. A.; Pietro, W. J.; Hehre, J. W. J. Am. Chem. Soc. 1982, 104, 2797.
17. Binkley, J. S.; Pople, J. A.; Hehre, J. W. J. Am. Chem. Soc. 1880, 102, 939. Gordon, J. S. Binkley, M. S., Pople, J. A.; Pietro, W. J.; Hehre, J. W. J. Am. Chem. Soc. 1982, 104, 2797.
18. Hariharan, P. C.; Pople, J. A. Chem. Phys. Lett. 1972, 66, 217. Francl, M. M.; Pietro, W. J.; Hehre, J. W.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654.
19. Hariharan, P. C.; Pople, J. A. Chem. Phys. Lett. 1972, 66, 217. Francl, M. M.; Pietro, W. J.; Hehre, J. W.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654.
20. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
21. Becke, A. D. Phys. Rev. 1988, A38, 3098.
22. J. P. Perdew, A. D. Phys. Rev. 1986, B33, 6622.
23. Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
24. Gaussian Basis Sets for Molecular Calculations; Huzinaga, S., Ed.; Elsevier: New York, 1984.
25. Dupuis, M.; Spangler, D.; Wendoloski, J. J. NRCC Software Catalog, Program QG10, 1980. Schimdt, M. W.; Boatz, J. A.; Baldridge, K. K.; Koseki, S.; Gordon, M. S.; Elbert, S. T.; Lam, B. QCPE Bull. 1987, 7, 115.
26. Dupuis, M.; Spangler, D.; Wendoloski, J. J. NRCC Software Catalog, Program QG10, 1980. Schimdt, M. W.; Boatz, J. A.; Baldridge, K. K.; Koseki, S.; Gordon, M. S.; Elbert, S. T.; Lam, B. QCPE Bull. 1987, 7, 115.
27. St-Amant, A.; Salahub, D. R. Chem. Phys. Lett. 1990, 169, 169. St-Amant, A. Ph.D. Thesis, Université de Montréal, 1992.
28. St-Amant, A.; Salahub, D. R. Chem. Phys. Lett. 1990, 169, 169. St-Amant, A. Ph.D. Thesis, Université de Montréal, 1992.