Landolt-Börnstein - Index of Organic Compounds

This index is a guide to organic compounds which have material constants of general interest described in the Landolt-Börnstein / New Series. In total in the subvolumes D, E and F, 15160 compounds with 23642 references to numerical data are recorded. Compiled are volumes containing spectroscopic data, molecular constants, structure data, density, viscosity and vapor pressure data. All new compounds are given with the drawing of the chemical structure, the molecular formula, chemical names, the Chemical Abstracts registration numbers (CAS-RN) and references to Landolt-Börnstein citations. Compounds already contained in subvolumes A, B or C are listed without structure drawing.

This index is the first step to a full electronisation of all Landolt-Börnstein volumes that have been published to date. The goals are, to create a material knowledge system, to provide a means of accessing all the data in electronic form and to be able to search effectively specific data. Parallel to the electronization, the data will be indexed, similar to these volumes.

The referenced volumes contain either chemical names and CAS?RN or structure data. In each case missing information was supplemented, compared with the original reference if necessary. Afterwards this data was analyzed and matched with each other to yield a list of individual compounds without duplicates. This work became sometimes non-trivial because compounds can have multiple chemical names and even CAS-RN are sometimes not unique due to out-dated numbers (CAS-DR) and specialized CAS-RN (for trade names, partly defined stereo?chemistry, or individual characteristics more detailed than the drawing sketch). Furthermore, about 15000 structure drawings had to be prepared for all compounds, including the exact stereo information. All this data assembly has been performed with the new, object-oriented database technology SciDex.

The index is prepared in two different forms: a printed book and an electronical database. Up to now, many users prefer printed books to electronical media. Books can show a large amount of information in high printing quality with one single glance. They are documents which survive all changes of computer systems and operating systems. Of course, the electronical version gives more functionality to the data, e.g. substructure search and structure comparison methods. Further, the electronical version contains additional links to third party references (Beilstein and LiqCryst registration numbers) as well as more alternative compound names.

Scientific data is not only numbers and words, but also rules, principles and complex data like molecular structures, spectra and reaction conditions, which have multiple relations between each other. Scientific information with the purpose of documentation can be handled with conventional relational databases. Scientific information with the function of a knowledge base with analysis and prediction methods require new methods, i.e. object oriented methods. 'Objects' are scientific data, connected with scientific rules and the relations to other data. A search for a particular information is an operator working on the documented knowledge: find, interpolate, deduce or calculate the requested data.

Some electronical media of chemical information are already established, e.g. Chemical Abstracts Service, Beilstein, SpecInfo, Brookhaven etc. The Landolt-Börnstein series contains numerical, evaluated data relevant for chemistry and physics, which is not limited by publication years, or restricted to single measurement spots. Thus, the electronical Landolt-Börnstein will yield a novel, powerful tool for quantitative structure/activity relationships (QSAR, QSPR) as well as a reference, analysis and prediction instrument for physical chemistry.

Only evaluated data can be used as basis for a knowledge base. The critical work of the several, individual specialists as authors of the Landolt-Börnstein is here continued by the careful compilation and analysis of the full list of organic compounds. This could only be done by the decisive and competent help of Maria Brehm, Dipl. Chem. Gaja Peters, Dr. Lenka Weignerová, Sven Gerber , Dipl. Chem. Götz Milkereit, Dr. Henry Sajus, Koen Veermans, Dipl. Chem. Matthias Wulf. The Landolt-Börnstein team, and particular Dr. Rainer Poerschke and Dr. Hans Seemüller, jointly support this project.

(Extracted from the preface)

Editor: V. Vill
Authors: C. Bauhofer, V. Vill, P. Weigner
Subvolume a: Compounds with 1 to 7 Carbon Atoms
Subvolume b: Compounds with 8 to 12 Carbon Atoms
Subvolume c: Compounds with more than 12 Carbon Atoms

Exact volume titles of the referenced volumes

Volume II/24: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy
(Supplement to volumes II/4, II/6, II/14, and II/19)
Editor: W. Hüttner
Subvolume a: Rotational, l-type, Centrifugal Distortion and Related Constants of Diamagnetic Diatomic, Linear, and Symmetric Top Molecules
Authors: J. Demaison; H. Hübner; G. Wlodarczak
1998. VIII, 286 pages. ISBN 3-540-63267-0

Volume II/24: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy
(Supplement to volumes II/4, II/6, II/14, and II/19)
Editor: W. Hüttner
Subvolume b: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules
Authors: J. Demaison; J. Vogt; G. Wlodarczak
2000. VIII, 525 pages. ISBN 3-540-65345-7

Volume II/25: Structure Data of Free Polyatomic Molecules
(Supplements to volumes II/7 (1976), II/15 (1987), II/21 (1992) and II/23 (1995))
Editor: K. Kuchitsu
Subvolume a: Inorganic Molecules
Authors: G. Graner; E. Hirota; T. Iijima; K. Kuchitsu; D.A. Ramsay; J. Vogt, N. Vogt
1997. 67 figs., X; 359 pages. ISBN 3-540-61713-2

Volume II/25: Structure Data of Free Polyatomic Molecules
(Supplements to volumes II/7 (1976), II/15 (1987), II/21 (1992) and II/23 (1995))
Editor: K. Kuchitsu
Subvolume b: Molecules containing One or Two Carbon Atoms
Authors: G. Graner; E. Hirota; T. Iijima; K. Kuchitsu; D.A. Ramsay; J. Vogt, N. Vogt
1999. 512 pages. ISBN 3-540-63645-5 Fig. fehlt

Volume II/25: Structure Data of Free Polyatomic Molecules
(Supplements to volumes II/7 (1976), II/15 (1987), II/21 (1992) and II/23 (1995))
Editor: K. Kuchitsu
Subvolume c:
Authors: G. Graner; E. Hirota; T. Iijima; K. Kuchitsu; D.A. Ramsay; J. Vogt, N. Vogt
1999, 512 pages. ISBN 3-540-63645-5

Volume III/35: Nuclear Magnetic Resonance, (NMR) Data
Editors: R.R. Gupta, M.D. Lechner
Subvolume c: Chemical Shifts and Coupling Constants for Hydrogen-1
Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates
Authors: R.R. Gupta; M. Jain
1999. VIII, 310 pages, ISBN 3-540-66780-6

Volume IV/8: Thermodynamic Properties of Organic Compounds and their Mixtures
Editor: K.R. Hall and K.N. Marsh
Subvolume g: Densities of Alcohols
Authors: M. Frenkel; X. Hong; R.C. Wilhoit; K.R. Hall
1999, 105 figs, XI , 413 pages, ISBN 3-540-66233-2

Volume IV/8: Thermodynamic Properties of Organic Compounds and their Mixtures
Editor: K.R. Hall and K.N. Marsh
Subvolume h: Densities of Esters and Ethers
Authors: M. Frenkel; X. Hong; R.C. Wilhoit; K.R. Hall
2000, 105 figs, XI , 485 pages, ISBN 3-540-41035-X

Volume IV/18: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures
Editor: M.D. Lechner
Subvolume a: Pure Organometallic and Organononmetallic Liquids, Binary Liquid Mixtures
Authors: Ch. Wohlfarth, B. Wohlfarth
2001. VII, 409 pages, ISBN 3-540-64584-5

Volume IV/18: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures
Editor: M.D. Lechner
Subvolume b: Pure Organic Liquids
Authors: Ch. Wohlfarth, B. Wohlfarth
2001. VII, 389 pages, ISBN 3-540-

Volume IV/20: Vapor Pressure of Chemicals
Editor: K.R. Hall
Subvolume b: Vapor Pressure and Antoine Constants for Oxygen Containing Organic Compounds
Authors: J. Dykyj, J. Svoboda, R.C. Wilhoit, M. Frenkel, K.R. Hall
2000. VII, 320 pages, ISBN 3-540-64968-9

Volume IV/20: Vapor Pressure of Chemicals
Editor: K.R. Hall
Subvolume c: Vapor Pressure and Antoine Constants for Nitrogen Containing Organic Compounds
Authors: J. Dykyj, J. Svoboda, R.C. Wilhoit, M. Frenkel, K.R. Hall
2001. VII, 197 pages, ISBN 3-540-41060-0

Home