Prediction of flash points of pure organic compounds: Evaluation of the DIPPR database was written by Alibakhshi, A.;Mirshahvalad, H.;Alibakhshi, S.. And the article was included in Process Safety and Environmental Protection in 2017.Recommanded Product: 112-59-4 The following contents are mentioned in the article:
The flash point is one of the most important flammability properties of compounds for the design of inherently safe processes. Many models have been developed to predict the flash point using the DIPPR database. However, for only 740 of the 1628 organic compounds available in the DIPPR database, the data for both flash point and normal b.p. were exptl. determined For the other compounds, at least one of these properties was predicted and therefore is not appropriate for model development. The present study introduces a model to predict the flash points of pure organic compounds using their mol. structures and normal b.ps. The new model exploits the equality of the relative errors observed for the normal b.p. and flash point values predicted using the Joback method. Consequently, the relative error of the predicted normal b.ps. can be used as a scaling factor to modify the predicted flash points. The ability of the model to evaluate the accuracy of a database was investigated. The ratio of the relative error of the predicted flash point to the relative error of the predicted normal b.p. obtained using the Joback method was proposed as a measure to evaluate the accuracy of flash point data. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Recommanded Product: 112-59-4).
2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Recommanded Product: 112-59-4
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem