Keywords
vander waal's volume (Vw)
Electrotopological state index (E)
Refractotopological state (R)
How to Cite
Abstract
A quantitative analysis is made on the correlation ship of thermodynamic property, i.e., standard enthalpy of formation (ΔH f0) with Kier’s molecular connectivity index(1Xv),vander waal’s volume (Vw) electrotopological state index (E) and refractotopological state index (R) in gaseous state of alkanes. The regression analysis reveals a significant linear correlation of standard enthalpy of formation (ΔH f0) with 1Xv, Vw, E and R. The equations obtained by regression analysis may be used to estimate standard enthalpy of formation (ΔH f0) of alkanes in gaseous state.References
S. W. Benson and H. Buss , J. Chem. Phy., 29 (1958) 546 – 72.
S. W. Benson , R. R .Cruickshank , D. M. Golden , G. R. Haugen, H. E. O` Neal, A. S. Rodgers, R. J. Shaw and R. Walsh, Chem. Rev., 69 (1969) 279 -321.
M. Luria and S. W. Benson , J. Chem. Eng. Data , 22 (1977) 90 -100.
A.Mercader, E.A.Castro and A.A.Toropov,Int.J.Mol.Sci.2 (2001)121-132.
P.Duchowicz and E.A.Castro.,J.of the Korean Chemical Society 44 (6) (2000).
N.Cohen, J.Phys.Chem. Ref Data, 25 (6) (1995).
B.L.Gorsi, G.S.Kalwania and M.Sharma, Indian J,Chem.,Sec.A , 32A(1993) 889.
B.L.Gorsi,G.S.Kalwania and M.Sharma , J.Indian Chem. Soc., 75 (1998) 373.
L.B.Kier and L.H.,Hall (“Molecular Connectivity in Chemistry and Drug Research” Academic Press, New York 1976.
M. Randic, J. Am. Chem. Soc., 97 (1975) 6609.
A. Bondi, J. Phy. Chem., 68 (1964) 441.
A. Moriguchi, Chem. Pharm. Bull. (Jpn.), 23 (1975) 247.
L. H. Hall , B. Mohnly and L. B. Kier , J. Chem. Inf. Compt. Sc., 1 (1991) 31.
L.H. Hall, B. Mohnly and L.B. Kier,Quant. Struct- Net., Relat, 10(1991) 43 -51.
L. B. Kier and L. H., Hall , Pharmae Res., 7, 8 (1990) 801-807.
A. K. Ghose and G. M. Crippen , J.Chem. Inf. Comput. Sci. 27.1,(1987) 21 -35.
F. D. Rossini, K. S. Pitzer, R. L. Arnett, R. M. Braum and G. C. Pimentel, “Selected Values of Physical and Thermodynamic Properties of Hydrocarbons Pa., 1953 .
J.G. Aston, “ Some Observations on the Thermodynamics of Hydrocarbons and Related Compounds”, Chem.. Rev., 27 (1940)59-73.
K.S. Pitzer, “ Chemical Equilibria, Free Energies and Heat Contents for gaseous Hydrocarbons”, Chem. Rev., 27 (1940)75-83.
M. Sounders, Jr., C.S. Matthewa and C.O. Hurd, “Entropy and Heat of
Formation of Hydrocarbon Vapors”, Ind. Eng. Chem., 41 (1949)1048-1056.
F.D. Rossini, “Heats of Formation of Gaseous Hydrocarbons”, Chem. Rev., 27 (1940) 1-16.
This work is licensed under a Creative Commons Attribution 4.0 International License.
Copyright (c) 2018 Eclética Química Journal