Thermochemistry of oxabicycloheptenes: Enthalpy of formation, entropy and heat capacity

Journal of Physical Organic Chemistry

Volumn 19, Issue 2, 2006, Pages 93-103

  Bozzelli, Joseph W ^a   Rajasekaran, Indumathi ^a   Hur, Jin ^a  

^a NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Enthalpy of formation; Entropy; Heat capacity; Oxabicycloheptanes; Oxabicycloheptenes; Oxabicyclohexanes

Indexed keywords

AROMATIC COMPOUNDS; CATALYSIS; ENTHALPY; ENTROPY; ORGANIC CHEMICALS; OXIDATION; THERMAL EFFECTS;

ENTHALPY OF FORMATION; OXABICYCLOHEPTENES;

OLEFINS;

EID: 31544431720     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1001     Document Type: Article

References (38)

1. Lay TH, Yamada T, Tsai P-L, Bozzelli JW. J. Phys. Chem. 1997; 101: 2471-2477.
2. Atri MG, Baldwin RR, Evans GA, Walker RW. J. Chem. Soc., Faraday Trans. 1978; 74: 366.
3. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery Jr JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz IV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomoerts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98. Gaussian: Pittsburgh, PA, 1998.
4. Becke AD. J. Phys. Chem. 1993; 98: 5648-5652.
5. Chen CJ, Bozzelli JW. J. Phys. Chem A 1999; 103: 9731-9769.
6. Chen CJ, Bozzelli JW. J. Phys. Chem. A 2000; 104: 9715-9732.
7. Chen CJ, Bozzelli JW. J. Phys. Chem. A 2000; 104: 4997-5012.
8. Sun H, Chen CJ, Bozzelli JW. J. Phys. Chem. A 2000; 104: 8270-8282.
9. Sheng C, Bozzelli JW. J. Phys. Chem. A 2002; 106: 1113-1121.
10. a) Rienstra-Kiracofe JC, Allen WD, Schaefer III HF. J. Phys. Chem. A 2000; 104: 9823-9840;
11. b) Ignatyev IS, Xie Y, Allen WD, Schaefer III HF. J. Chem. Phys 1997; 107: 141-150.
12. Andino JM, Smith JN, Flagan RC, Goddard WA, Seinfeld JH. J. Phys. Chem. 1996; 100: 10967.
13. Durant JL. Chem. Phys. Lett. 1996; 256: 595.
14. Chen CJ, Bozzelli JW. J. Phys. Chem A 2003; 107: 4531-4546.
15. Sun H, Chen CJ, Bozzelli JW. J. Phys. Chem. A 2001; 105: 4504-4516.
16. Sebbar N, Bockhom H, Bozzelli JW. J. Phys. Chem A 2004; 108: 8353-8366.
17. a) Zhu L, Chen CJ, Bozzelli JW. J. Phys. Chem. A 2000; 104: 9198-9206;
18. b) Zhu L, Kim C-H, Bozzelli JW. Master Thesis, New Jersey, Institute of Technology, 2001.
19. Hehre W, Radom L, Schleyer PR, Pople JA. Ab Initia Molecular Orbital Theory. Wiley: New York, 1986.
20. Scott AP, Radom L. J. Phys. Chem. 1996; 100: 16502.
21. Marshall P. J. Phys. Chem. A 1999; 103: 4560.
22. Pedley JB, Naylor RD, Kirby SP. Thermochemical Data of Organic Compounds (2nd edn). Chapman and Hall: London, 1986.
23. Prosen EJ, Maron FW, Rossini FD. J. Res. Natl. Bur. Stand. 1951; 46: 106-112.
24. Pilcher G, Pell AS, Coleman DJ. Trans. Faraday Soc. 1964; 60: 499-505.
25. Stull DR, Prophet H. JANAF Thermochemical Tables (2nd edn). 3NSRDS-NBS 37. US Government Printing Office: Washington, DC, 1970.
26. Sinke GC, Hildenbrand DL. J. Chem. Eng. Data 1962; 7: 74.
27. Pell AS, Pilcher G. Trans. Faraday Soc. 1965; 61: 71-77.
28. Steele WV, Chirico RD, Knipmeyer SE, Nguyen A, Smith NK, Tasker IR. J. Chem. Eng. Data 1996; 41: 1269-1284.
29. Kozina MP, Timofeeva LP, Luk'yanova VA, Pimenova SM, Kas'yan LI. Russ. J. Phys. Chem. (Engl. Transl.) 1988; 62: 609-612.
30. Bedford AF, Beezer AE, Mortimer CT, Springall HD. J. Chem. Soc. 1963; 3823-3828.
31. Chickos JS, Acree WE Jr. J. Phys. Chem. Ref. Data 2003; 32: 519-878.
32. Jia Z-S, Brandt P, Thibblin A. J. Am. Chem. Soc. 2001; 123: 10147-10152.
33. Sheng C. PhD Dissertation, Department of Chemical Engineering, New Jersey Institute of Technology, 2002.
34. Benson SW. Thermochemical Kinetics. Wiley-Interscience: New York, 1976.
35. Holmes JL, Lossing FP. J. Am. Chem. Soc. 1982; 104: 2648.
36. Turecek F, Havelas Z. J. Org. Chem. 1986; 51: 4066-4067.
37. Cohen N. J. Phys. Chem. Ref. Data 1996; 25: 1411.
38. Chen C-C, Bozzelli JW. J. Phys. Chem. A 2003; 107: 4531-4546.