Computed Property Data Base for Molecules (CPDB)

This data base contains molecular properties predicted by
property estimation methods. The properties and estimation methods are as follows:

1)Molecular Formura: Atom Groups separate by colon. Example CH2:Cl:CHF2 .
Not use wild card. If user want to search of words, you write in space.
2)Molecular Weight
3)Boiling Point(K): Boiling Point(K) estimated by Joback Method.
4)Critical Temperature(K): Critical Temperature(K) estimated by Joback Method.
5)Critical Pressure(bar): Critical Pressure(bar) estimated by Joback Method.
6)Critical Volume(cm³): Critical Volume(cm³) estimated by Joback Method.
7)Edmister Method omega: Omega estimated by Edmister Method.
8)Lee-Kesler Method omega: Omega estimated by Lee-Kesler Method.
9)Critical Constant: Critical Constant estimated by Jyoback Method.
10)Yen-Woods Method Density (g/cm³): Density (g/cm³) estimated by Yen-Woods Method.
11)Reidel Method Vapor P (mmHg): Vapor P (mmHg) estimated by Reidel Method.
12)Vetre Method Heat of Vaporization (at BP) (cal/mol): Heat of Vaporization (at BP) (cal/mol) estimated by Vetre Method.
13)L-J Collision Diameter (Å): Lennerd -Jones Collision Diameter (Å).
14)L-J Well Depth (J/mol): Lennerd -Jones Well Depth (J/mol).

User can find out appropriate molecules by setting ranges of property value as query.

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