Aqueous Solubility and Related Thermodynamic Functions of Nonaromatic Hydrocarbons as a Function of Molecular Structure

Industrial & Engineering Chemistry Research ◽

10.1021/ie030800t ◽

2004 ◽

Vol 43 (11) ◽

pp. 2805-2815 ◽

Author(s):

Pavla Dohányosová ◽

Sabine Sarraute ◽

Vladimír Dohnal ◽

Vladimír Majer ◽

Margarida Costa Gomes

Keyword(s):

Molecular Structure ◽

Thermodynamic Functions ◽

Aqueous Solubility

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Predicting aqueous solubility of chlorinated hydrocarbons from molecular structure

Fluid Phase Equilibria ◽

10.1016/s0378-3812(01)00818-4 ◽

2002 ◽

Vol 199 (1-2) ◽

pp. 101-107 ◽

Author(s):

Eduardo J. Delgado

Keyword(s):

Molecular Structure ◽

Chlorinated Hydrocarbons ◽

Aqueous Solubility

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Solid-state properties of drugs. I. Estimation of heat capacities for fusion and thermodynamic functions for solution from aqueous solubility-temperature dependence measurements

International Journal of Pharmaceutics ◽

10.1016/0378-5173(92)90161-t ◽

1992 ◽

Vol 84 (3) ◽

pp. 233-244 ◽

Author(s):

R.J. Prankerd

Keyword(s):

Solid State ◽

Temperature Dependence ◽

Thermodynamic Functions ◽

Aqueous Solubility ◽

Heat Capacities

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ESOL: Estimating Aqueous Solubility Directly from Molecular Structure

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci034243x ◽

2004 ◽

Vol 44 (3) ◽

pp. 1000-1005 ◽

Author(s):

John S. Delaney

Keyword(s):

Molecular Structure ◽

Aqueous Solubility

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Comment on "Prediction of aqueous solubility of organic chemicals based on molecular structure. 2. Application to PNAs, PCBs, PCDDs, etc."

Environmental Science & Technology ◽

10.1021/es00076a026 ◽

1990 ◽

Vol 24 (6) ◽

pp. 927-929 ◽

Author(s):

Samuel H. Yalkowsky ◽

Dinesh S. Mishra

Keyword(s):

Molecular Structure ◽

Aqueous Solubility ◽

Organic Chemicals

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MOLECULAR STRUCTURE, FTIR, FT-RAMAN, NBO ANALYSIS, FIRST ORDER HYPERPOLARIZABILITIES, THERMODYNAMIC FUNCTIONS AND NMR CHEMICAL SHIELDING ANISOTROPY (CSA) PARAMETERS OF METHYL 2-CHLORONICOTINATE BY AB INITIO DFT CALCULATIONS.

International Journal of Advanced Research ◽

10.21474/ijar01/1843 ◽

2016 ◽

Vol 4 (10) ◽

pp. 654-682

Author(s):

Dr.P. Dinesh. ◽

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Ab Initio ◽

Thermodynamic Functions ◽

Nbo Analysis ◽

Chemical Shielding ◽

First Order ◽

Ft Raman ◽

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Correlation of aqueous solubility and octanol-water partition coefficient based on molecular structure

Chemosphere ◽

10.1016/0045-6535(91)90049-j ◽

1991 ◽

Vol 22 (8) ◽

pp. 723-738 ◽

Author(s):

G.S. Patil

Keyword(s):

Molecular Structure ◽

Partition Coefficient ◽

Aqueous Solubility ◽

Water Partition Coefficient

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Prediction of aqueous solubility of organic chemicals based on molecular structure

Environmental Science & Technology ◽

10.1021/es00168a014 ◽

1988 ◽

Vol 22 (3) ◽

pp. 328-338 ◽

Author(s):

Nagamany N. Nirmalakhandan ◽

Richard E. Speece

Keyword(s):

Molecular Structure ◽

Aqueous Solubility ◽

Organic Chemicals

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Molecular Structure of Lithium Chloride Dimer. Thermodynamic Functions of Li2X2 (X = Cl, Br, I)

The Journal of Chemical Physics ◽

10.1063/1.1731238 ◽

1960 ◽

Vol 33 (3) ◽

pp. 685-691 ◽

Author(s):

S. H. Bauer ◽

Tadashi Ino ◽

Richard F. Porter

Keyword(s):

Molecular Structure ◽

Lithium Chloride ◽

Thermodynamic Functions

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Aqueous solubility of alkylamino-s-triazine as a function of pH and molecular structure

Journal of Agricultural and Food Chemistry ◽

10.1021/jf60160a034 ◽

1968 ◽

Vol 16 (6) ◽

pp. 959-961 ◽

Author(s):

Thomas M. Ward ◽

Jerome B. Weber

Keyword(s):

Molecular Structure ◽

Aqueous Solubility

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ChemInform Abstract: Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure.

10.1002/chin.199836301 ◽

2010 ◽

Vol 29 (36) ◽

pp. no-no

Author(s):

B. E. MITCHELL ◽

P. C. JURS

Keyword(s):

Molecular Structure ◽

Organic Compounds ◽

Aqueous Solubility

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