The flash point is an important indicator of the flammability of a chemical. For safety purposes, many data compilations report the lowest value and not the most likely. This practice, combined with improper documentation and poor data storage methods, has resulted in compilations filled with fire-hazard data that are inconsistent with related properties and between members of homologous chemical series. In this study, the flash points reported in the DIPPR 801 database and more than 1,400 other literature values were critically reviewed based on measurement method, inter-property relations, and trends in chemical series. New measurements for seven compounds illustrate the differences between experimental flash points and data commonly found in fire-hazard compilations. With a critically reviewed set of experimental data, published predictive methods for the flash point were evaluated for accuracy.
Phase equilibrium measurements have been performed on twelve binary mixtures. The PTx method was used to obtain vapor−liquid equilibrium data for the following binary systems at two temperatures each: ethanethiol + propylene; nitrobenzene + methanol; pyridine + ethyl acetate; octane + tert-amyl methyl ether; diisopropyl ether + butane; 1,3-dichloro-2-propanol + epichlorohydrin; 2,3-dichloro-1-propanol + epichlorohydrin; 2,3-epoxy-1-propanol + epichlorohydrin; 3-chloro-1,2-propanediol + epichlorohydrin; methanol + hydrogen cyanide. For these systems, equilibrium vapor and liquid phase compositions were derived from the PTx data using the Soave equation of state to represent the vapor phase and the Wilson, NRTL, or Redlich−Kister activity coefficient model to represent the liquid phase. The infinite dilution activity coefficient of methylamine in N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone-rich half of the binary. Liquid−liquid equilibrium studies were made on the triethylene glycol + 1-pentene system at two temperatures by directly analyzing samples taken from each liquid phase.
Vapor-liquid equilibria are reported for the following five systems: phenol + styrene; ethyl mercaptan + n-butane; tert-butyl mercaptan + propane; dimethyl ether + propane; trifluoroacetic acid + hydrogen chloride. The system pressure and temperature were measured at several charge compositions along two isotherms for each system. Equilibrium vapor-and liquid-phase compositions were derived from the PTx data using the Soave equation of state to represent the vapor phase and the Wilson or NRTL activity coefficient model to represent the liquid phase. Liquid-liquid equilibrium studies were performed on the dimethyl carbonate + water system at two temperatures by analyzing samples taken from each liquid phase. The solubility of hydrogen in R-methyl benzyl alcohol was measured at three pressures at each of three temperatures.
Critical point measurements consisting of critical temperatures and critical pressures have been performed on nine compounds by a flow method with ultralow residence times. These compounds along with their Chemical Abstract Service Registry Numbers (provided by the author) are bis(2-aminoethyl)amine (111-40-0), 2-(2-aminoethylamino)ethanol (111-41-1), 1,4-butanediol (110-63-4), 2-(2-butoxyethoxy)ethyl acetate (124-17-4), 2-(2-ethoxyethoxy)ethyl acetate (112-15-2), 2-methyl-1,3-propanediol (2163-42-0), phenyl acetate (122-79-2), 1,3-propanediol (504-63-2), and propylene carbonate (108-32-7). Vapor pressure measurements are also included for these nine compounds.
The Design Institute for Physical Properties (DIPPR) maintains the DIPPR 801 database for the American Institute of Chemical Engineers. The 801 database is the largest collection of critically evaluated, pure-species, thermophysical property data in the world and is used by engineers and academics. This paper is a response to misuse of the DIPPR 801 database in the literature. To help researchers avoid misuse, the critical evaluation process for property values is explained, and common mistakes that occur in the literature are outlined. A guide to using the DIPPR database for both academic and industrial use is also included.
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