A new application about 88-05-1

I am very proud of our efforts over the past few months and hope to 88-05-1 help many people in the next few years. Category: thiomorpholine.

In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. In an article, author is Freitas, Vera L. S., once mentioned the application of 88-05-1, Name is 2,4,6-Trimethylaniline, molecular formula is C9H13N, molecular weight is 135.2062, MDL number is MFCD00007740, category is thiomorpholine. Now introduce a scientific discovery about this category, Category: thiomorpholine.

The influence of the heteroatoms in the conformational, energetic, and reactivity trends exhibited by morpholine and thiomorpholine isosteres was obtained from computational and experimental thermochemical studies. For those purposes, the gas-phase standard (p = 0.1 MPa) molar enthalpies of formation of the compounds, at T = 298.15 K, were determined from the experimental values of the standard molar. enthalpies of formation, in the liquid phase, and of the standard molar: enthalpies of vaporization, obtained by calorimetric techniques, and also from composite G3(MP2)// B3LYP calculations making use of appropriate working reactions. A very good agreement was found between the calculated and the experimental gas-phase enthalpies of formation. The computational study was further extended to the calculation of other gas-phase thermodynamic properties these compounds, namely, the N-H or C-H bond dissociation enthalpies, gas-phase acidities and basicitics, proton affinities and adiabatic ionization enthalpies, and the energies and structures of the conformational stereoisomers of morpholine and thiomorpholine.

I am very proud of our efforts over the past few months and hope to 88-05-1 help many people in the next few years. Category: thiomorpholine.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem