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Title: | Dibenzofuran and methyldibenzofuran derivatives: assessment of thermochemical data |
Author: | Freitas, Vera L. S. Gomes, Jose R. B. Ribeiro da Silva, Maria D. M. C. |
Keywords: | DIFFERENTIAL SCANNING CALORIMETERS THERMODYNAMIC PROPERTIES VAPOR-PRESSURES O BOND ENTHALPIES SUBLIMATION CALIBRATION COMBUSTION ENERGETICS DENSITY |
Issue Date: | 2013 |
Publisher: | SPRINGER/PLENUM PUBLISHERS |
Abstract: | Thermochemical data of dibenzofuran, a compound of considerable industrial and environmental significance, obtained from experimental calorimetric and computational techniques are reported in this work. The enthalpy of fusion, (19.4 +/- 1.0) kJ mol(-1), at the temperature of fusion, (355.52 +/- 0.02) K, was determined by differential scanning calorimetry measurements of dibenzofuran. From the standard (p degrees = 0.1 MPa) molar enthalpies of formation of crystalline dibenzofuran, (-29.2 +/- 3.8) kJ mol(-1), and of sublimation, (84.5 +/- 1.0) kJ mol(-1), determined at T = 298.15 K by static bomb combustion calorimetry and by vacuum drop microcalorimetry, respectively, it was possible to calculate the enthalpy of formation of the gaseous compound, (55.0 +/- 3.9) kJ mol(-1), at the same temperature. The enthalpy of formation in the gaseous phase was also determined from G3(MP2)//B3LYP calculations. The same computational strategy was employed in the calculation of the standard molar enthalpies of formation, at T = 298.15 K, in the gas-phase, of single methylated derivatives of benzofuran and dibenzofuran. |
Peer review: | yes |
URI: | http://hdl.handle.net/10773/20130 |
DOI: | 10.1007/s11224-013-0272-7 |
ISSN: | 1040-0400 |
Publisher Version: | 10.1007/s11224-013-0272-7 |
Appears in Collections: | CICECO - Artigos |
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Dibenzofuran and methyldibenzofuran derivatives Assessment of thermochemical data_10.1007s11224-013-0272-7.pdf | 1.12 MB | Adobe PDF |
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