Computation of Upper Flash Point of Chemical Compounds Using a Chemical Structure-Based Model was written by Gharagheizi, Farhad;Ilani-Kashkouli, Poorandokht;Mirkhani, Seyyed Alireza;Mohammadi, Amir H.. And the article was included in Industrial & Engineering Chemistry Research in 2012.Reference of 112-59-4 The following contents are mentioned in the article:
A quant. structure-property relationship is presented to estimate the upper flash point of pure compounds using a multi-linear equation model with 8 parameters. All parameters are solely computed based on chem. structure. To develop this model, >3000 parameters were evaluated using the genetic algorithm multi-variate linear regression method to select the most statistically effective ones. Maximum average absolute relative deviation (mARD), ARD, squared correlation coefficient, and root mean squares of error from database (DIPPR 801) values for 1294 pure compounds were 25.76%, 3.56%, 0.95, and 17.42 K, resp. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Reference of 112-59-4).
2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Reference of 112-59-4
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem