Standard enthalpies of formation of N,N′-(1,3-phenylene)bis(phthalimide) and N,N′-(1,3-phenylene)bis(phthalimide-5-carboxilic acid)

7-Methoxy-4-methylcoumarin: Standard Molar Enthalpy of Formation Prediction in the Gas Phase Using Machine Learning and Its Comparison to the Experimental Data

“…This instrument was calibrated using benzoic acid (NIST Standard Reference Material 39j) with a combustion mass energy of −(26434.0 ± 3.0) J g –1 (the uncertainty corresponds to expanded uncertainty), which was corrected using Coops et al equation . The calorimetric equivalent of ϵ (calor) = (1281.2 ± 0.8) J K –1 (the uncertainty is twice the standard deviation of the mean) was calculated from six combustion experiments at 3.04 MPa pressure under a high purity gaseous oxygen (Air Liquide Corp., mass fraction of 0.99999) with 0.1 cm 3 of deionized water …”

“…27 The calorimetric equivalent of ϵ (calor) = (1281.2 ± 0.8) J K −1 (the uncertainty is twice the standard deviation of the mean) was calculated from six combustion experiments at 3.04 MPa pressure under a high purity gaseous oxygen (Air Liquide Corp., mass fraction of 0.99999) with 0.1 cm 3 of deionized water. 28 To maintain conditions similar to those of the reference material, the 7M4MC was oxidized considering the same parameters. The cotton-thread fuse (C 1.000 H 1.742 O 0.921 ) used possess a combustion specific energy of −(16945.2 ± 4.2) J g −1 (the uncertainty is the standard deviation of the mean).…”

Standard enthalpies of formation of 3-hydroxyphthalic anhydride

“…The calorimeter device was calibrated with benzoic acid as calorimetric standard (NIST Standard Material Reference 39j), its certified massic energy of combustion of ∆ c u = −(26434.0 ± 3.0) Jg −1 (where the uncertainty is the standard deviation of the mean) was corrected using the equation provided by Coops [19]. The energy equivalent was obtained from its complete oxidation, (calor) = (1281.2 ± 0.8) JK −1 , the uncertainty is twice to the standard deviation of the mean of six calibration runs, data of calibration experiments was shown in previous work [20]. The combustion of 3-HPA was carried out under the same experimental conditions as those mentioned above for the calibration procedure, with a sample weight of 40 mg and a high purity oxygen inlet pressure of 3.04 MPa (x = 0.99999, supplied by Airgas Co).…”

Experimental Determination of the Standard Enthalpy of Formation of Trimellitic Acid and Its Prediction by Supervised Learning

“…Trimellitic acid (TMAc) is a compound used as a ligand on coordination polymers, as precursors of polyester resins and polyamide-imides, − furthermore like cross-linking agents for paints, dyes, and adhesives, and for other important chemicals production. , In addition, the trimellitic acid particular chemical structure such as the carboxylic groups that allows the intermolecular hydrogen bonds formation renders this compound to other potential applications in organometallic and inorganic chemistry, i.e., for semisynthetic natural products, and in materials research field . A quick search for literature in SciFinder limited to the last 5 years yields more than 1400 for TMAc, which mainly corresponds to patents.…”

“…The organic compound’s thermochemical properties are usually determined experimentally by thermal and calorimetric techniques such as differential scanning calorimetry (DSC), thermogravimetry, and combustion calorimetry. The interest so far in this research is mainly to obtain enthalpies of formation in the solid and gas phases − using computational (supervised learning) , and functional group contribution (GC) estimation methods for experimental and a theoretical comparison. − …”