Experimental and computational thermodynamic study of ortho- Meta- and para-aminobenzamide

Journal of Chemical Thermodynamics

Volumn 59, Issue , 2013, Pages 222-232

  Almeida, Ana R R P ^a   Monte, Manuel J S ^a   Matos, M Agostinha R ^a   Morais, Victor M F ^a  

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

Aminobenzamide; Combustion calorimetry; Enthalpy of combustion; Enthalpy of formation; Enthalpy of fusion; Enthalpy of sublimation; G3 theory; Knudsen effusion; Quantum chemical calculations; Vapour pressures

Indexed keywords

AMINOBENZAMIDE; COMBUSTION CALORIMETRY; ENTHALPY OF COMBUSTION; ENTHALPY OF FORMATION; ENTHALPY OF FUSION; ENTHALPY OF SUBLIMATION; G3 THEORIES; KNUDSEN EFFUSION; QUANTUM CHEMICAL CALCULATIONS; VAPOUR PRESSURES;

COMBUSTION; CRYSTALLINE MATERIALS; DIFFERENTIAL SCANNING CALORIMETRY; ISOMERS; PHASE TRANSITIONS; QUANTUM CHEMISTRY; SUBLIMATION; VAPOR PRESSURE; VAPORS;

ENTHALPY;

EID: 84873323646     PISSN: 00219614     EISSN: 10963626     Source Type: Journal    
DOI: 10.1016/j.jct.2012.12.006     Document Type: Article

References (44)

1. A.R.R.P. Almeida, M.A.R. Matos, M.J.S. Monte, and V.M.F. Morais J. Chem. Thermodyn. 47 2012 81 89
2. M.A.V. Ribeiro da Silva, M.J.S. Monte, I.M. Rocha, and A. Cimas J. Org. Chem. 77 2012 4312 4322
3. A.F.L.O.M. Santos, M.A.V. Ribeiro da Silva, J. Phys. Chem. B 115 (2011) 4939-4948.
4. A.R.R.P. Almeida, M.A.R. Matos, V.M.F. Morais, and M.J.S. Monte J. Phys. Chem. B 114 2010 11570 11575
5. M.A.V. Ribeiro da Silva, M.J.S. Monte, A.I.M.C. Lobo Ferreira, J.A.S.A. Oliveira, and A. Cimas J. Phys. Chem. B 114 2010 12914 12925
6. M.A.R. Matos, M.S. Miranda, and V.M.F. Morais J. Chem. Thermodyn. 40 2008 625 631
7. R.R. France, I. Cumpstey, T.D. Butters, A.J. Fairbanks, and M.R. Wormald Tetrahedron-Asymmetr. 11 2000 4985 4994
8. S. Kiyokawa, Y. Hirata, Y. Nagaoka, M. Shibano, M. Taniguchi, M. Yasuda, K. Baba, and S. Uesato Bioorgan. Med. Chem. 18 2010 3925 3933
9. C.W. Zapf, J.D. Bloom, Z. Li, R.G. Dushin, T. Nittoli, M. Otteng, A. Nikitenko, J.M. Golas, H. Liu, J. Lucas, F. Boschelli, E. Vogan, A. Olland, M. Johnson, and J.I. Levin Bioorgan. Med. Chem. Lett. 21 2011 4602 4607
10. M. Wuhrer, C.A.M. Koeleman, C.H. Hokke, and A.M. Deelder Int. J. Mass Spectrom. 232 2004 51 57
11. M. Bakavoli, O. Sabzevari, M. Rahimizadeh, Chinese Chem. Lett. 18 (2007) 1466-1468, and references therein.
12. G. Brixa, A. Schlickera, W. Miera, P. Peschkea, and M.E. Bellemanna Magn. Reson. Imaging 23 2005 967 976
13. R. Caldini, E. Fanti, L. Magnelli, E. Barletta, E. Tanganelli, M. Zampieri, and Marta Chevanne Vascular Cell 3 12 2011 1 10
14. R. Ricciarellic, L. Palom, O. Cantoni, and A. Azzia FEBS Lett. 431 1998 465 467
15. A. De Blasio, C. Messina, A. Santulli, V. Mangano, E. Di Leonardo, A. D'Anneo, G. Tesoriere, R. Vento, FEBS Lett. 579 (2005) 615-620.
16. L.G. Prasad, V. Krishnakumar, R. Nagalakshmi, and S. Manohar Mater. Chem. Phys. 128 2011 90 95
17. C.L. Yaws, D.H. Chen, in: C.L. Yaws (Ed.), Thermophysical Properties of Chemicals and Hydrocarbons; William Andrew Inc., New York, 2008 (Chapter 5).
18. M.E. Wieser, and T.B. Coplen Pure Appl. Chem. 83 2011 359 396
19. R. Sabbah, A. Xu-wu, J.S. Chickos, M.L. Planas Leitao, M.V. Roux, and L.A. Torres Thermochim. Acta 331 1999 93 204
20. M.A.V. Ribeiro da Silva, M.J.S. Monte, L.M.N.B.F. Santos, J. Chem. Thermodyn. 38 (2006) 778-787.
21. M.A.V. Ribeiro da Silva, M.D.M.C. Ribeiro da Silva, and G. Pilcher Rev. Port. Quím. 26 1984 163172
22. M.A.V. Ribeiro da Silva, M.D.M.C. Ribeiro da Silva, and G. Pilcher J. Chem. Thermodyn. 16 1984 11491155
23. Certificate of Analysis Standard Reference Material 39j Benzoic Acid Calorimetric Standard 1995 National Bureau of Standards Gaithersburg, MD
24. J. Coops, R.S. Jessup, K.G. van Nes in: F.D. Rossini (Ed.), Experimental Thermochemistry, vol. 1, Interscience. New York, 1956 (Chapter 3).
25. L.M.N.B.F. Santos, M.T. Silva, B. Schröder, L. Gomes, J. Therm. Anal. Cal. 89 (2007) 175-180.
26. W.D. Good, D.W. Scott, and G. Waddington J. Phys. Chem. 60 1956 1080 1089
27. D.D. Wagman, W.H. Evans, V.B. Parker, R.H. Schumm, I. Halow, S.M. Bailey, K.L. Churney, R.L. Nutall, The NBS Tables of Chemical Thermodynamics Properties. J. Phys. Chem. Ref. Data 11 (1982) Suppl. 2.
28. E.N. Washburn J. Res. Nat. Bur. Stand. (US) 10 1933 525558
29. W.N. Hubbard, D.W. Scott, G. Waddington, in: F.D. Rossini (Ed.), Experimental Thermochemistry, vol. 1, Interscience, New York, 1956 (Chapter 5).
30. E.C.W. Clarke, and D.N. Glew Trans. Faraday Soc. 62 1966 539 547
31. M.J.S. Monte, A.R.R.P. Almeida, and M.A.R. Matos J. Chem. Eng. Data 55 2010 419 423
32. J.S. Chickos, S. Hosseini, D.G. Hesse, and J.F. Liebman Struct. Chem. 4 1993 271 278
33. S. Kashino, S. Tateno, H. Tanabe, M. Haisa, and Y. Katsube Acta Cryst. C47 1991 2236 2239
34. Z. Berkovitch-Yellin, J. van Mil, L. Addadi, M. Idelson, M. Lahav, and L. Leiserowitz J. Am. Chem. Soc. 107 1985 3111 3122
35. M. Alleaume Thesis, Bordeaux, 1967. Cited in: Z. Berkovitch-Yellin, J. van Mil, L. Addadi, M. Idelson, M. Lahav, L. Leiserowitz J. Am. Chem. Soc. 107 1985 3111 3122
36. F.D. Rossini, in: F.D. Rossini (Ed.), Experimental Thermochemistry, vol. 1, Interscience, New York, 1956 (Chapter 14).
37. G. Olofsson, in: S. Sunner, M. Månsson (Eds.), Combustion Calorimety, vol. 1, Pergamon, Oxford, UK, 1979 (Chapter 6).
38. J.D. Cox, D.D. Wagman, and V.A. Medvedev CODATA Key Values for Thermodynamics 1989 Hemisphere New York
39. M.W. Chase, Jr., NIST-JANAF Themochemical Tables, 4th Edition, J. Phys. Chem. Ref. Data, Monograph 9 (1998) 1-1951.
40. L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. Rassolov, and J.A. Pople J. Chem. Phys. 109 1998 7764 7776
41. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision C.01, Gaussian, Inc., Wallingford, CT, 2004.
42. M.A.R. Matos, M.S. Miranda, V.M.F. Morais, and J.F. Liebman Org. Biomol. Chem. 1 2003 2566 2571
43. M.A.R. Matos, M.S. Miranda, V.M.F. Morais, and J.F. Liebman Org. Biomol. Chem. 2 2004 1647 1650
44. M.A.R. Matos, M.S. Miranda, V.M.F. Morais, and J.F. Liebman Eur. J. Org. Chem. 2004 3340 3345