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Prediction of pure‐component flash points for organic compounds
Author(s) -
Rowley Jeffrey R.,
Rowley Richard L.,
Wilding W. Vincent
Publication year - 2011
Publication title -
fire and materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.482
H-Index - 58
eISSN - 1099-1018
pISSN - 0308-0501
DOI - 10.1002/fam.1057
Subject(s) - boiling point , flash point , vapor pressure , vaporization , thermodynamics , enthalpy , chemistry , enthalpy of vaporization , absolute deviation , point (geometry) , standard deviation , analytical chemistry (journal) , statistics , mathematics , chromatography , organic chemistry , physics , geometry
Published flash point prediction methods are evaluated for accuracy against experimental data from the DIPPR ® 801 database. The most accurate methods require a vapor pressure correlation, which is often not available. Two new methods are presented, one that uses the vapor pressure, and one based on the normal boiling point and enthalpy of vaporization at the normal boiling point. The vapor pressure method shows little improvement over the previous methods unless group contributions are implemented. The boiling point method predicts the flash point within an absolute average deviation of 1.3% when compared with data for more than 1000 compounds. The previous most accurate method that was not based on vapor pressure exhibited an absolute average deviation of 1.84% for the same test set. Copyright © 2010 John Wiley & Sons, Ltd.