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Some download files are provided in "zip" format
... these downloaded files must be "un-zipped" with common
utility programs such as PkunZip or WinZip.
Basic Instructions:
(1) Download a file by clicking on file name below (Note ...
"Save" the file to your computer when asked)
(2) Un-Zip the file if it is a ZIP file
PhysProp
Database Files (March 2009 update) ... 43,000+ Compounds:
Property.zip
(11 MB): ISIS/Base version of PhysProp ... requires user to
have Molecular Designs Limited (MDL) ISIS/Base (tm) software ... unzips
to Property.db ... NOTE: This is the March 2009 update
Phys_txt.zip
(2.3 MB): tab-delimited text format version of PhysProp ... does
not contain structures (see tab-field format below) ... unzips to
PhysProp.txt ... can be imported into directly into spreadsheets and
Databases such as Excel, Access, etc. ... NOTE: This is the March 2009 update
PhysProp.txt Tabs delimit the fields
as follows:
CAS #
Formula
Mol Weight
Chemical Name
WS (mg/L) ... Water Solubility
WS_temp
WS_type
WS_reference
LogP ...... log octanol-water partition
coef.
LogP_temp
LogP_type
LogP_reference
VP (mm Hg) ....... Vapor Pressure
VP_temp
VP_type
VP_reference
DC_pKa ...... Dissociation constant pKa
DC_temp
DC_type
DC_reference
HL (atm-m3/mole) ...... Henry's Law
Constant
HL_temp HL_type
HL_reference
OH (cm3/molecule-sec) .... OH rate
constant
OH_temp
OH_type
OH_reference
BP_pressure (mm Hg)
MP (deg C) ......... Melting Point
BP (deg C) ......... Boiling Point
FP (deg C) ......... Freezing Point
Phys_xls.zip
(5.9 MB): Microsoft Excel version of PhysProp (Oct 2005) ... to be updated ... unzips to
PhysProp.xls ... SMILES Notations updated (Oct 2005) ... SMILES not in any other file!!
Phys_sdf.zip
(12 MB): SD File format (MDL SD File) of PhysProp (March 2009 update) ... unzips to
PhysProp.sdf
NEW ... ALL PHYSPROP References in an executable File Viewer Program ... unzips to PhysPropRefs_Help.exe
PhysPropRefs_Help.zip
600KB)
User_man.txt
(12622 bytes): text version of PhysProp User Manual
User_man.wpd
(74959 bytes): Corel Word Perfect (tm) version of
PhysProp User Manual
User_man.doc
(51712 bytes): Microsoft Word version of
PhysProp User Manual
LogPrefs.txt
(81111 bytes):
full Log P reference citations for PhysProp
Referenc.txt
(233845 bytes): full reference citations for most PhysProp references.
Wsolcit.txt
(73052 bytes): full water solubility reference
citations for PhysProp.
Watersol.zip
(156251 bytes): experimental water solubility data from PhysProp.
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