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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