Properties of Organic Compounds

Searching for Property Resources


 

  • What are you looking for? E.g., boiling point, melting point, specific gravity, solubility
  • What information do you have? E.g., compound name, molecular formula, structure
  • Choose a resource. See details about resources listed below.
  • Generally, search by name if you have it.
  • If this doesn't work, try molecular formula - a more general search. Use Hill order.
    DON'T GIVE UP! Try another resource. Email: scardinal@library.rochester.edu.
  • Most precise search is by Chemical Abstracts Service (CAS) Registry Number (RN).
    Most compounds have been assigned a number by CAS, similar to a social security
    number for people. E.g., The CAS RN for Aniline is 62-53-3.
  • You may have to try several resources before you find the property for your compound.
    Each resource has a slightly different purpose. "Aldrich", for example, is
    selling chemicals, while "Merck" is focused on providing useful data for medical personal.

 

 

Web Property Resources


 

Organic Compounds Database from Colby College Chemistry Department.
Size: ~2500 compounds
Search by: name, formula, melting point, boiling point, major functional groups, UV wavelengths, mass spectral peaks
Data retrieved: name, molecular formula, molecular weight, density, index of refraction, boiling point, melting point, UV wavelengths and absorptivities, and references to spectra libraries.
Best feature: Simple to use and can search by many criteria

Combined Chemical Dictionary
Size: ~450,000 records
Search by: structure, substructure, keyword, name, formula, melting point, boiling point, CAS Registry number and many more choices in combination.
Data retrieved: name, synonym, molecular formula, molecular weight, CAS Registry number, refractive index, boiling point, melting point, percent composition, use/ importance, hazards, density, pKa, derivative melting points, references to preparation and spectra.
Best feature: Simple to use, structure searching, large, has references and can search by many criteria.

Merck Index (Choose "Compound Search" tab at top of page)
Size:10,250 compounds
Search by: full text, name, formula, melting point, boiling point, CAS Registry number, structure search (with activeX plugin) and more.
Data retrieved: name, additional names, molecular formula, molecular weight, CAS Registry number, refractive index, boiling point, melting point, percent composition, use/ importance, hazards, density, solubility, some derivatives, pKas and flash points.
Best feature: Flexible search, concise results, structure searching, and has references.

CRC Handbook of Chemistry and Physics
Size:~12,000 compounds
Quickly do substance/ property search or browse large tables of data in "Section 3: Physical Constants of Organic Compounds" by clicking on + next to name, then on table icon. First time you use it, you may have to install a JAVA program.
Search by: name, synonym, CAS registry number, molecular formula, molecular weight, boiling point, melting point, density, refractive index, etc.
Data retrieved: name, synonym, molecular formula, molecular weight, CAS registry number, melting point, Merck Index number, boiling point, Beilstein number, density, solubility, refractive index. To view a structure, click on a table row and then click on the "benzene" like icon.
Best feature: Searching by boiling point, melting point ranges. Sorting and easy structure viewing. Section 9 contains spectroscopy correlation charts.

Sigma-Aldrich Catalog (Choose "Search" in top right)
Size: ~100,000 compounds
Search by: name, CAS registry number, molecular formula
Data retrieved: varies - often includes name, formula weight, melting point, boiling point, refractive index density, flash point, Beilstein reference, Fieser reference, IR and NMR spectra, Merck Index number . . .
Best feature: Large! Full text search. CAS RN search. Spectra! Some structures.

 


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Print Property Resources


 

"Aldrich Fine Chemicals" (in print)
Newest Edition at Reference Desk
Older Editions at REF TP202 .A39
Size: ~40,000 organic chemicals
Search by: name (IUPAC), CAS RN, product number
Data retrieved: name, formula weight, melting point, boiling point, refractive index density, flash point, Beilstein reference, Fieser reference, reference to spectra libraries, Merck Index number . . .
Best feature: Compact, index to spectra resources, some structures, molecular formula index

"CRC Handbook of Tables for Organic Compounds Identification"
REF QD291 .C51t 1967
Size: ~8150 compounds
Search by: Class of compounds (i.e. halide, alcohol) and liquid/solid, then by boiling or melting point
Data retrieved: list of compounds with similar boiling/ melting points. Also has IR correlation chart on p. 441 and NMR correlation chart on p. 450
Best feature: Organized by compound class and increasing melting or boiling point.

"CRC Handbook of Chemistry and Physics" (in print)
Newest Edition at Reference Desk
Older Editions at REF QD65 .C18 and on 3rd floor
Size:~12,000 compounds
Search by: name (CAS Index Name), molecular formula, synonym, boiling point, melting point, CAS registry number, or Structure.
Data retrieved: name, synonym, molecular formula, molecular weight, CAS registry number, melting point, Merck Index number, boiling point, Beilstein number, density, solubility, refractive index. IR and NMR correlation charts are in section 9.
Best feature: Boiling point, melting point, solubilities and structure indices.

"Dictionary of Organic Compounds" 1996+
REF QD291 .D53 1996
Size:~65,000 entries
Search by: name (IUPAC/ CAS/ Common names), molecular formula, or synonym.
Data retrieved: appearance of compound, structures, unusual solubilities, boiling point, melting point, hazards, and literature references, including index to spectra libraries.
Best feature: Large. Great molecular formula index, and substance name index.

"Lange's Handbook of Chemistry"
REF QD65 .L36 1999
Size: 4300+
Search by: name in "Physical Constants of Organic Compounds" chart, or empirical formula
Data retrieved: name, formula, formula weight, Beilstein reference, density, refractive index, melting point, boiling point, flash point, solubility.
Best feature: Nice spectra correlation charts (IR p. 7.41; NMR p. 7.92)

"Merck Index" 13th edition.
Ref RS51 .M4 2001 at Reference Desk
Size: 10,300+ compounds
Search by: Name (common)
Data retrieved: Synonyms, molecular weight, percent composition, molecular formula, literature references, biological and pharmacological information structure, compound appearance, melting point, boiling point, solubility . . .
Best feature: Organized by common name, great abbreviations list in front

"Handbook of Data on Organic Compounds" 3rd Edition. 1994
Ref QD257.7 .H36
Size: ~27,000 compounds
Search by: Name (CAS index name)
Data retrieved: name, synonyms, molecular formula, Beilstein Number, some structures, boiling points, melting points, density, color, solubility, IR major peaks, NMR chemical shifts.
Best feature: Spectra data

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