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AQUASOL dATAbASE
of
Aqueous Solubility
Sixth Edition
An extensive compilation
of aqueous solubility data
for organic compounds.
Samuel H. Yalkowsky
Yan He
Editors
Online version available now
The sixth edition of the AQUASOL dATAbASE of Aqueous Solubility contains almost twenty thousand solubility records for almost six thousand compounds. These data were extracted from over eighteen hundred scientific references. They include solubility data for a very wide variety of compounds, including many pharmaceuticals, pollutants, nutrients, herbicides, pesticides, agricultural, industrial, and energy related compounds.

Each compound is identified by empirical formula, name, synonyms, Chemical Abstracts Registry Number, molecular weight, boiling point, and melting point if available.

Each solubility record contains both the temperature and solubility and their respective units as reported in the original reference, the solubility converted to moles (and grams) per liter, a citation code, a five point evaluation of the quality of the reporting of the data, and a comment field. Multiple entries will be given when available.

The compounds are completely searchable buy several criteria, including formula, name, CAS registry number and compund characteristics. All references are a complete citation. The format will be similar to that shown below. All references are given a complete citation.

The AQUASOL dATAbASE of Aqueous Solubility will be updated continuously, with about one thousand new solubility records being added each year.

The AQUASOL dATAbASE is accessed through any table and forms capable web browser, and is available via an annual subscription.

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Sample solubility output from web version

Solubility data for Lindane
(compound ID 1011)





NameFormulaCAS No.MWMP ° CBP ° C
LindaneC6H6CL658-89-9290.83112.50
Synonyms


Reported ValuesRefCalculated ValuesEval
TempT UnitSolubilityS UnitMoles/lGrams/lTemp ° C
15.00 C2150. ppbB0837.393E-06 2.150E-03 15.00 22122
15.00 C2.15 ppmB1627.393E-06 2.150E-03 15.00 10002
19.00 C8.19 mg I0182.816E-05 8.190E-03 19.00 19992
Commentaverage temperature
20.00 C10 ppmC0993.438E-05 1.000E-02 20.00 12001
24.00 C17000 ug H1165.845E-05 1.700E-02 24.00 21002
25.00 C6800 ppbB0832.338E-05 6.800E-03 25.00 22122
25.00 C6.80 ppmB1622.338E-05 6.800E-03 25.00 10002
25.00 C7.52 ppmM0602.586E-05 7.520E-03 25.00 22122
25.00 C7.3 mg M1302.510E-05 7.300E-03 25.00 10001
25.00 C7800 ug W0252.682E-05 7.800E-03 25.00 10222
27.00 C12 ppmB1614.126E-05 1.200E-02 27.00 21220
CommentEFG
35.00 C11400. ppbB0833.920E-05 1.140E-02 35.00 22122
Commentparticle size < or = 5 microns
35.00 C21 ppmB1617.221E-05 2.100E-02 35.00 21220
CommentEFG
35.00 C11.4 ppmB1623.920E-05 1.140E-02 35.00 10002
45.00 C15200. ppbB0835.226E-05 1.520E-02 45.00 22122
Commentparticle size < or = 5 microns
45.00 C27 ppmB1619.284E-05 2.700E-02 45.00 21220
CommentEFG
50.00 C33 ppmB1611.135E-04 3.300E-02 50.00 21220
CommentEFG
60.00 C45 ppmB1611.547E-04 4.500E-02 60.00 21220
CommentEFG
ns 1E-4 gw M0613.438E-06 1.000E-03 ns 00000
ns 7000 ppbM1102.407E-05 7.000E-03 ns 00000
CommentEFG
ns i N034i i ns 00000
rt 10 mg M1613.438E-05 1.000E-02 rt 00001
25. C3E-2 umlB1633.0000E-058.7249E-0325. 10000
28. C6.5 ppmK1202.2350E-056.5000E-0328. 12222
Commentaverage of 4 methods


References



Ref No.Reference
B083J.W. Biggar, R.L. Riggs
TitleApparent Solubility of Organochlorine Insecticides in Water at Various Temperatures
Book
JournalHilgardia
Vol42Year1974PP383-391
Ref No.Reference
B161H.M. Bhavnagary, M. Jayaram
TitleDetermination of Water Solubilities of Lindane and Dieldrin at Different Temperatures
Book
JournalBulletin of Grain Technology
Vol12Year1974PP95-99
Ref No.Reference
B162J.W. Biggar, L.D. Donnen, R.L. Riggs
TitleSoil Interaction with Organically Polluted Water. Summary Report Dept. of Water Science and Engineering, University of California (1966) cf. F.A. Gunther, W.E. Westlake, and P.S. Jaglan
Book
JournalResidue Reviews
Vol20Year1968PP1-
Ref No.Reference
B163H. Lipke, C.W. Kearns
TitleDDT-Dehydrochlorinase III. Solubilization of Insecticides by Lipoprotein
Book
JournalJournal of Economic Entomology
Vol53Year1960PP31-35
Ref No.Reference
C099G.R. Chamlin
TitleThe Chemistry of Benzene Hexachloride and its Insecticidal Properties
Book
JournalJournal of Chemical Education
Vol23Year1946PP283-284
Ref No.Reference
H116H.C. Hollifield
TitleRapid Nephelometric Estimate of Water Solubility of Highly Insoluble Organic Chemicals of Environmental Interest
Book
JournalBulletin of Environmental Contamination and Toxicology
Vol23Year1979PP579-586
Ref No.Reference
I018K.A. Ivanov
TitleSolubility of Lindane in H20
Book
JournalGigiena i Sanitariya
Vol21Year1956PP82-83
Ref No.Reference
K120N. Kurihara, M. Uchida, T. Fujita and M. Nakajima
TitleStudies on BHC Isomers and Related Compounds V. Some Physicochemical Properties of BHC Isomers
Book
JournalPesticide Biochemistry and Physiology
Vol2Year1973PP383-390
Ref No.Reference
M060W.L. Masterton, T.P. Lee
TitleEffect of Dissolved Salts on Water Solubility of Lindane
Book
JournalEnvironmental Science and Technology
Vol6Year1972PP919-921
Ref No.Reference
M061N.N. Melnikov, F.A. Gunther, J.D. Gunther
Title
Book
JournalResidue Reviews
Vol36Year1971PP36-439
Ref No.Reference
M110R.L. Metcalf, J.R. Sanborn
TitlePesticides and Environmental Quality in Illinois
Book
JournalIllinois, Natural History Survey, Bulletin
Vol31Year1975PP381-438
Ref No.Reference
M130D. Mackay, P.J. Leinonen
TitleRate of Evaporation of Low-solubility Contaminants from Water Bodies to Atmosphere
Book
JournalEnvironmental Science and Technology
Vol9Year1975PP1178-1180
Ref No.Reference
M161H. , C.R.
Title
BookPesticide Manual:Basic information on the chemicals used as active components of pesticides
Journal
VolYear1977PP-
Ref No.Reference
N034M.F. Nathan
TitleChoosing a Process for Chloride Removal
Book
JournalChemical Engineering (New York)
Vol85Year1978PP93-100
Ref No.Reference
W025L. Weil, G. Dure, K.-E. Quentin
TitleWasserloslichkeit von Insektiziden Chlorierten Kohlenwasserstoffen und Polychlorierten Biphenylen im Hinblick auf eine Gewasserbelastung mit diesen Stoffen
Book
JournalZeitschrift fuer Wasser und Abwasser Forschung
Vol7Year1974PP169-175