Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.5932-27-4, Name is Ethyl 1H-pyrazole-3-carboxylate, SMILES is O=C(C1=NNC=C1)OCC, belongs to pyrazoles-derivatives compound. In a document, author is Gorn, Margarita, V, introduce the new discover, Quality Control of Ethyl 1H-pyrazole-3-carboxylate.
Pressure DSC for energetic materials. Part 2. Switching between evaporation and thermal decomposition of 3,5-dinitropyrazole
Differential scanning calorimetry at an elevated external pressure (Pressure DSC) allows for shifting the vaporization of a sample to higher temperatures, thus often facilitating the direct observation of its thermal decomposition. In the present work, the thermolysis of a promising energetic material 3,5-dinitropyrazole was studied under pressures up to 10 MPa. The thermokinetic analysis of the datasets acquired at 2 and 5 MPa exhibited a pronounced kinetic compensation, thus allowing to build the joint formal kinetic model. The final kinetic scheme is comprised of the two parallel reactions, viz., the first-order process (E-a = 198 kJ mol(-1)) along with a first-order autocatalysis (E-a = 127 kJ mol(-1)). The experiment was complemented with the highly accurate CCSD(T)-F12 quantum chemical calculations. Theory revealed an unusual primary decomposition channel, viz., a sigmatropic [1,5]-1-shift followed by the pyrazole ring opening yielding a molecular nitrogen and a nitro radical as simple primary products. Apart from this, the comparative thermogravimetry at a normal pressure yielded the vapor pressure of 3,5-dinitropyrazole along with the internally consistent set of phase change enthalpies. In general, the pressure DSC is a facile technique to study the true decomposition kinetics of the compounds that vaporize/sublime in conventional DSC experiments.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 5932-27-4 is helpful to your research. Quality Control of Ethyl 1H-pyrazole-3-carboxylate.
Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics