Additivity methods for prediction of thermochemical properties. The Laidler method revisited. 2. Hydrocarbons including substituted cyclic compounds

Journal of Chemical Thermodynamics

Volumn 41, Issue 12, 2009, Pages 1356-1373

  Santos, Rui C ^a   Leal, João P ^a,b   Martinho Simões, José A ^a,c  

^a UNIVERSITY OF LISBON   (Portugal)

^b INSTITUTO TECNOLÓGICO E NUCLEAR   (Portugal)

^c INSTITUTO DE TECNOLOGIA QUÍMICA E BIOLÓGICA   (Portugal)

Author keywords

Additivity methods; ELBA method; Enthalpy of atomization; Enthalpy of formation; Extended Laidler scheme; Hydrocarbons

Indexed keywords

ABSOLUTE DIFFERENCE; ADDITIVITY; ADDITIVITY METHODS; BENZENE DERIVATIVES; CYCLIC COMPOUNDS; CYCLO-ALKANES; CYCLOALKENES; ELBA METHOD; ENTHALPY OF FORMATION; EXPERIMENTAL VALUES; EXTENDED LAIDLER SCHEME; GAS-PHASE STANDARD; GASPHASE; LIQUID PHASE; POLYPHENYLS; POLYYNES; STANDARD MOLAR ENTHALPY; STANDARD MOLAR ENTHALPY OF FORMATION; THERMOCHEMICAL PROPERTIES;

ACETYLENE; ATOMIZATION; BENZENE; JETS; LIQUIDS; OLEFINS; ORGANIC COMPOUNDS; PARAFFINS; STANDARDS;

ENTHALPY;

EID: 69449106737     PISSN: 00219614     EISSN: 10963626     Source Type: Journal    
DOI: 10.1016/j.jct.2009.06.013     Document Type: Article

References (74)

1. Laidler K.J. Can. J. Chem. 34 (1956) 626-648
2. Lovering E.G., and Nor O.M. Can. J. Chem. 40 (1962) 199-204
3. Benson S.W., and Buss J.H. J. Chem. Phys. 29 (1958) 546-572
4. Cohen N., and Benson S.W. Chem. Rev. 93 (1993) 2419-2436
5. Allen T.L. J. Chem. Phys. 31 (1959) 1039-1049
6. Tatevskii V.M., Benderskii V.A., and Yarovoi S.S. Rules and Methods for Calculating the Physico-Chemical Properties of Paraffinic Hydrocarbons (1961), Pergamon Press, Oxford
7. Benson S.W., Cruickshank F.R., Golden D.M., Haugen G.R., O'Neal H.E., Rodgers A.S., Shaw R., and Walsh R. Chem. Rev. 69 (1969) 279-324
8. Cox J.D., and Pilcher G. Thermochemistry of Organic and Organometallic Compounds (1970), Academic Press, New York
9. Ducros M., Gruson J.F., and Sannier H. Thermochim. Acta 36 (1980) 39-65
10. Bures M., Majer V., and Zabransky M. Chem. Eng. Sci. 36 (1981) 529-537
11. Guthrie J.P., and Taylor K.F. Can. J. Chem. 62 (1984) 363-372
12. Domalski E.S., and Hearing E.D. J. Phys. Chem. Ref. Data 17 (1988) 1637-1678
13. Domalski E.S., and Hearing E.D. J. Phys. Chem. Ref. Data 22 (1993) 805-1159
14. Chickos J.S., Hesse D.G., and Liebman J.F. J. Org. Chem. 55 (1990) 3833-3840
15. Chickos J.S., Marie Braton C., Hesse D.G., and Liebman J.F. J. Org. Chem. 56 (1991) 927-938
16. Guthrie J.P. Can. J. Chem. 70 (1992) 1042-1054
17. J.B. Pedley, Thermochemical Data and Structures of Organic Compounds, TRC Data Series, vol. 1, College Station, TX, 1994.
18. Smith D.W. J. Chem. Soc., Faraday Trans. 92 (1996) 1141-1147
19. Cohen N. J. Phys. Chem. Ref. Data 25 (1996) 1411-1481
20. Smith D.W. J. Chem. Soc., Faraday Trans. 94 (1998) 3087-3091
21. Leal J.P. J. Phys. Chem. Ref. Data 35 (2006) 55-76
22. Salmon A., and Dalmazzone D. J. Phys. Chem. Ref. Data 35 (2006) 1443-1457
23. Salmon A., and Dalmazzone D. J. Phys. Chem. Ref. Data 36 (2007) 19-58
24. S.E. Stein, R.L. Brown, Structures and properties group additivity model, in: P.J. Linstrom, W.G. Mallard (Eds.), NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg MD. (accessed February 2009).
25. P.J. Linstrom, W.G. Mallard (Eds.), NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg MD. (accessed February 2009).
26. Bixon M., Dekker H., Dunitz J.D., Eser H., Lifson S., Mosselman C., Sicher J., and Svoboda M. Chem. Commun. (1967) 360-362
27. M.W. Chase (Ed.), NIST-JANAF Thermochemical Tables, fourth ed., J. Phys. Chem. Ref. Data, Monograph No. 9, 1998.
28. Doering W.E., Roth W.R., Bauer F., Breuckmann R., Ebbrecht T., Herbold M., Schmidt R., Lennartz H.-W., Lenoir D., and Boese R. Chem. Ber. 122 (1989) 1263-1266
29. Wagman D.D., Kilpatrick J.E., Pitzer K.S., and Rossini F.D. J. Res. Natl. Bur. Stand. 35 (1945) 467-496
30. Prosen E.J., Maron F.W., and Rossini F.D. J. Res. Natl. Bur. Stand. 46 (1951) 106-112
31. Rogers D.W., Dagdagan O.A., and Allinger N.L. J. Am. Chem. Soc. 101 (1979) 671-676
32. Siretskaya T.V., Takhistov V.V., Pimenova S.M., Orlov V.M., and Pustobaev V.N. React. Kinet. Catal. Lett. 31 (1986) 15-19
33. Pimenova S.M., Kozina M.P., Gal'chenko G.L., Siretskaya T.V., Takhistov V.V., Kuznetsova T.S., Proskurnina M.V., and Kotel'nikova T.A. Termodin. Org. Soedin. 15 (1986) 12-16
34. Moureu C., and Andre E. Ann. Chim. Phys. 1 (1914) 113-145
35. Steele W.V., Chirico R.D., Nguyen A., Hossenlopp I.A., and Smith N.K. Am. Inst. Chem. Eng. Symp. Ser. (1990) 138-154
36. Roth W.R., Adamczak O., Breuckmann R., Lennartz H.-W., and Boese R. Chem. Ber. 124 (1991) 2499-2521
37. Fang W., and Rogers D.W. J. Org. Chem. 57 (1992) 2294-2297
38. Roth W.R., Scholz B.P., Breuckmann R., Jelich K., and Lennartz H.W. Chem. Ber. 115 (1982) 1934-1946
39. Kiefer J.H., Sidhu S.S., Kern R.D., Xie K., Chen H., and Harding L.B. Combust. Sci. Technol. 82 (1992) 101-130
40. Luk'yanova V.A., Pimenova S.M., Timofeeva L.P., Kozina M.P., Kolesov V.P., and Tarakanova A.V. Russ. J. Phys. Chem. (Engl. Transl.) 66 (1992) 1083-1085
41. N.D. Lebedeva, V.L. Ryadnenko, N.N. Kiseleva, L.F. Nazarova, Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th 1 (1977) 91-95.
42. Lebedeva N.D., Gutner N.M., and Nazarova L.F. Termodin. Org. Soedin. 6 (1977) 26-29
43. Wiberg K.B., Lupton Jr. E.C., Wasserman D.J., and de Meijere A. J. Am. Chem. Soc. 106 (1984) 1740-1744
44. Egan C.J., and Buss W.C. J. Phys. Chem. 63 (1959) 1887-1889
45. Chickos J.S., Hesse D.G., Panshin S.Y., Rogers D.W., Saunders M., Uffer P.M., and Liebman J.F. J. Org. Chem. 57 (1992) 1897-1899
46. Steele W.V., Chirico R.D., Nguyen A., Hossenlopp I.A., and Smith N.K. Am. Inst. Chem. Eng. Symp. Ser. 85 (1989) 140-162
47. Steele W.V., Chirico R.D., Knipmeyer S.E., Nguyen A., Smith N.K., and Tasker I.R. J. Chem. Eng. Data 41 (1996) 1269-1284
48. Allinger N.L., Dodziuk H., Rogers D.W., and Naik S.N. Tetrahedron 38 (1982) 1593-1597
49. Lebedev B., and Smirnova N. Macromol. Chem. Phys. 195 (1994) 35-63
50. Zubova P. Zh. Fiz. Khim. 33 (1901) 708-722
51. Greathead J.M., and Orchard S.W. Int. J. Chem. Kinet. 15 (1983) 1069-1080
52. Kozina M.P., Timofeeva L.P., Pimenova S.M., Aleshina V.A., Belikova N.A., Bobyleva A.A., and Plate A.F. Russ. J. Phys. Chem. (Engl. Transl.) 46 (1972) 1689-1690
53. Rogers D.W., Von Voithenberg H., and Allinger N.L. J. Org. Chem. 43 (1978) 360-361
54. Luk'yanova V.A., Timofeeva L.P., Kozina M.P., Kirin V.N., and Tarakanova A.V. Russ. J. Phys. Chem. (Engl. Transl.) 65 (1991) 439-441
55. Kalechits G.V., Luk'yanova V.A., Kozina M.P., and Gal'chenko G.L. J. Gen. Chem. USSR 60 (1990) 169-172
56. Davis H.E., Allinger N.L., and Rogers D.W. J. Org. Chem. 50 (1985) 3601-3604
57. Guthrie J.P. Can. J. Chem. 56 (1978) 962-973
58. Brown H.C., and Domash L. J. Am. Chem. Soc. 78 (1956) 5384-5386
59. Chirico R.D., Knipmeyer S.E., Nguyen A., and Steele W.V. J. Chem. Thermodyn. 21 (1989) 1307-1331
60. Montgomery R.L., Rossini F.D., and Månsson M. J. Chem. Eng. Data 23 (1978) 125-129
61. Steele W.V., Chirico R.D., and Smith N.K. J. Chem. Thermodyn. 27 (1995) 671-678
62. Ribeiro da Silva M.A.V., Matos M.A.R., do Rio C.M.A., and Morais V.M.F. J. Chem. Soc., Faraday Trans. 93 (1997) 3061-3065
63. Melkhanova S.V., Pimenova S.M., Chelovskaya N.V., Miroshnichenko E.A., Pashchenko L.L., Nesterov I.A., and Naumkin P.V. J. Chem. Thermdyn. 41 (2009) 651-653
64. Verevkin S.P. J. Chem. Thermodyn. 29 (1997) 1495-1501
65. Balepin A.A., Lebedev V.P., Miroshnichenko E.A., Koldobskii G.I., Ostovskii V.A., Larionov B.P., Gidaspov B.V., and Lebedev Y.A. Svoistva Veshchestv Str. Mol. (1977) 93-98
66. Verevkin S.P. J. Chem. Eng. Data 44 (1999) 175-179
67. Lamneck Jr. J.H., and Wise P.H. J. Am. Chem. Soc. 76 (1954) 5108-5110
68. Parks G.S., West T.J., Naylor B.F., Fujii P.S., and McClaine L.A. J. Am. Chem. Soc. 68 (1946) 2524-2527
69. Pepekin V.I., Erlikh R.D., Matyushin Y.N., and Lebedev Y.A. Dokl. Phys. Chem. (Engl. Transl.) 214 (1974) 123-125
70. Verevkin S.P. J. Chem. Eng. Data 44 (1999) 557-562
71. Chirico R.D., and Steele W.V. J. Chem. Thermodyn. 36 (2004) 633-643
72. Verevkin S.P. J. Chem. Thermodyn. 30 (1998) 1029-1040
73. Kreysig V.D., Friebe R., Aparowsky H., and Schirmer J. J. Prakt. Chem. 37 (1968) 329-336
74. Verevkin S.P., Nölke M., Beckhaus H.-D., and Rüchardt C. J. Org. Chem. 62 (1997) 4683-4686