ChIN简介页:化学基础数据表
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化学基础数据表

【收费情况】
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【数据库研制者】
     1989 by
C.D. Schaeffer, Jr. (Elizabethtown College)

C.A. Strausser, M.W. Thomsen, and C.H. Yoder
(Franklin & Marshall College)

【数据内容】
     Table of Contents

1. The Elements: Symbols, Atomic Numbers, Atomic Weights, and Pauling

Electronegativities
2. Constants and Conversion Factors

3. Standard Enthalpies of Formation of Gaseous Atoms

4. Ionization Energies of Gaseous Atoms

5. Electron Affinities

6. Common Bond Energies and Bond Lengths

7. Standard Heats and Free Energies of Formation, and Absolute Entropies

A. Elements and Inorganic Compounds
B. Organic Compounds

8. Standard Heats of Formation for Gaseous Complex Ions

9. Lattice Energy

A. Madelung Constants (A) for Common Crystal Lattices
B. Values of Born Exponent to be Used in Repulsive Function for Lattice Energy

C. Lattice Energies (E) for Common Compounds

D. Kapustinskii Equation

10. Contributions to Entropies of Solids at 298 K

A. Cation Contributions, J/mol K
B. Anion Contributions, J/mol K

11. Group Contributions to DHfo(g) and So(g) at 298 K

A. Hydrocarbon Groups
B. Corrections for Steric Interactions and Rings

C. Oxygen-Containing Groups

D. Nitrogen-Containing Groups

E. Halogen-Containing Groups

12. Metallic, Covalent and Ionic Radii

13. Thermochemical Radii

A. Anions
B. Cations

14. Standard Formation Data for Aqueous Ions

A. Cations
B. Anions

15. Absolute Enthalpies of Hydration of Gaseous Ions

16. Solubilities of Gases in Water at 293 K

17. Solubilities of Inorganic Compounds in Water at 293 K

18. Solubility Product Constants, Ksp

19. Acid and Base Dissociation Constants in Water at 298 K

A. Acid Constants
B. Base Constants

20. Overall Formation Constants of Coordination Compounds

21. Vapor Pressure of Water from 0 o C to 100 o C

22. Hammett Sigma Constants

23. Standard Electrode Potentials

A. Acidic Media
B. Basic Media

24. Acid-Base Indicators

25. Oxidation-Reduction Indicators

26. Physical Characteristics of Solvents

27. Molal Freezing and Boiling Point Constants

28. Additivity Rules for p-p* Transitions of Enones

29. Characteristic Infrared Absorptions

30. Properties of NMR-Active Nuclei

A. I = 1/2 Nuclei
B. I > 1/2 Nuclei

31. Common NMR Solvents

32. Carbon-13 Chemical Shift Increments for Substituted Alkanes

33. Carbon-13 Chemical Shifts of Carbonyl Derivatives

34. Additivity Parameters for Carbon-13 Chemical Shifts in Some Substituted Benzenes

35. Proton, Carbon-13 and Nitrogen Chemical Shift Ranges

A. Proton
B. Carbon-13

C. Nitrogen

36. Character Tables for Common Symmetry Groups

A. The Nonaxial Groups
B. The Cn Groups
C. The Dn Groups
D. The Cnv Groups
E. The Cnh Groups
F. The Dnh Groups
G. The Dnd Groups
H. The Sn Groups
I. The Cubic Groups

37. Molecular parameters
38. References

【备注】
     References:

1. J.E. Huheey, E.A.Keiter, and R.L. Keiter, "Inorganic Chemistry," 4th ed., Harper Collins, NY, 1993.

2. J.A. Dean, "Lange's Handbook of Chemistry," 14th ed., McGraw-Hill, NY, 1992,
pps. 2-2 to 2-52.

3. W.E. Dasent, "Inorganic Energetics," 2nd ed., Cambridge University Press, NY,
1982, p. 35.

4. Dasent, pps. 44-47; C.E. Moore, "National Standard Reference Data Series,"
National Bureau of Standards, No. 34, Washington, DC, 1970; W.C. Martin,
L. Hagan, J. Reader, and J. Sugar, J. Phys. Chem. Ref. Data, 3, 771-9 (1974).

5. Dasent, pps. 57-58; H. Hotop and W.C. Lineberger, J. Phys. Chem. Ref. Data, 4,
539-76 (1975).

6. Huheey, pps. A-21 to A-34; T.L. Cottrell, "The Strengths of Chemical Bonds,"
2nd ed., Butterworths, London, 1958; B. deB. Darwent, "National Standard Reference
Data Series," National Bureau of Standards, No. 31, Washington, DC, 1970; S.W.
Benson, J. Chem. Educ., 42, 502 (1965).

7. Lange's Handbook, pps. 6-1 to 6-147.

8. Hotop and Lineberger (experimental values); H.D.B. Jenkins and K.F. Pratt, Adv.
Inorg. Chem. Radiochem., 22, 1 (1979) (calculated values); R.C. Weast, Ed., "CRC Handbook
of Chemistry and Physics," 62nd ed., CRC Press, Boca Raton, FL, 1981, pps.
D-85 to D-86 (calculated values).

9. Huheey, pps. 99-134.

10. Dasent, p. 99; W.M. Latimer, "Oxidation Potentials," 2nd ed., Prentice-Hall, NY, 1952.

11. S.W. Benson, F.R. Cruickshank, D.M. Golden, G.R. Haugen, H.E. O'Neal,
A.S. Rodgers, R. Shaw, and R. Walsh, Chem. Rev., 69, 279 (1969).

12. A.F. Wells, "Structural Inorganic Chemistry," 5th ed., Clarendon Press, Oxford, 1984,
p. 1288 (metallic radii for 12-coordination); Huheey, pp. 292 (covalent radii for
nonmetals); R.D. Shannon, Acta Crystallogr., Sect. A: Found. Crystallogr., 32, 751
(1976) (ionic radii for 6-coordination).

13. Dasent, p. 78; H.D.B. Jenkins and K.P. Thakur, J. Chem. Educ., 56, 576 (1979).

14. Dasent, pps. 144-145.

15. Dasent, p. 152; D.W. Smith, J. Chem. Educ., 54, 540 (1977).

16. G.W.C. Kaye and T.H. Laby, "Tables of Physical and Chemical Constants," 15th ed.,
Longman, NY, 1986, p. 219.

17. Kaye and Laby, pps. 184-196; Lange's Handbook, pps. 5-9 to 5-23.

18. Lange's Handbook, pps. 8-6 to 8-11; L.G. Sillen and A.E. Martell, "Stability Constants
of Metal-Ion Complexes," The Chemical Society, London, 1964 (Special Publ. No. 17).

19. Lange's Handbook, pps. 8-13 to 8-71.

20. Lange's Handbook, pps. 8-83 to 8-103; Sillen and Martell.

21. Lange's Handbook, pps. 5-28 to 5-29.

22. C. Hansch and A. Leo, "Substituent Constants for Correlation Analysis in Chemistry
and Biology," Wiley-Interscience, NY, 1979.

23. Huheey, pps. A-35 to A-37; A.J. de Bethune and N.A.S. Loud, "Standard Aqueous
Electrode Potentials and Temperature Coefficients at 25 ?C," C.A. Hampel, Skokie, IL,
1964.

24. C.A. Streuli, in "Handbook of Analytical Chemistry," L. Meites, Ed., McGraw-Hill,
NY, 1963, pps. 3-35 and 3-36.

25. I.M. Kolthoff and V.A. Stenger, "Volumetric Analysis," 2nd ed., Vol. 1, Interscience,
NY, 1942, p. 140.

26. Lange's Handbook, pps. 5-91 to 5-125; A.J. Gordon and R.A. Ford, "The
Chemist's Companion," Wiley-Interscience, NY, 1972, pps. 2-16.

27. Lange's Handbook, pps. 11-4 and 11-10 to 11-14.

28. R.M. Silverstein, G.C. Bassler, and T.C. Morrill, "Spectrometric Identification of
Organic Compounds," 5th ed., Wiley, NY, 199l, pps. 302-303.

29. Silverstein, Bassler and Morrill, pps. 158-164.

30. R.K. Harris and B.E. Mann, Eds., "NMR and the Periodic Table," Academic Press,
NY, 1978, pps. 5-7.

31. Merck, Sharpe & Dohme compilation.

32. D.W. Brown, J. Chem. Educ., 62, 209 (1985); E. Pretsch, T. Clerc, J. Seibl, and
W. Simon, "Tables of Spectral Data for Structure Determination of Organic
Compounds," Springer-Verlag, NY, 1983, p. C90.

33. G.C. Levy, R.L. Lichter, and G.L. Nelson, "Carbon-13 Nuclear Magnetic Resonance
Spectroscopy," 2nd ed., Wiley-Interscience, NY, 1980, pps. 136-156; E. Breitmaier
and W. Voelter, "Carbon-13 NMR Spectroscopy," 3rd ed., VCH Publishers, Deerfield Beach,
FL, 1987, pps. 215-232.

34. Levy, Lichter and Nelson, pps. 111-112; Breitmaier and Voelter, pps. 256-258.

35. Silverstein, Bassler and Morrill, Ch. 4 (proton data); Breitmaier and Voelter
(carbon-13 data); G.C. Levy and R.L. Lichter, "Nitrogen-15 Nuclear Magnetic
Resonance Spectroscopy," Wiley-Interscience, NY, 1979 (nitrogen data).

36. F.A. Cotton, "Chemical Applications of Group Theory," 3rd ed., Wiley-Interscience,
NY, 1990.


Summary by 李晓霞 on 2001-04-05

Last updated by 杨宏伟 on 2005-05-19

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