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https://hdl.handle.net/10216/94035
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DC Field | Value | Language |
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dc.creator | Maria D M C R Ribeiro da Silva | |
dc.creator | da Silva, MAVR | |
dc.creator | Vera L S Freitas | |
dc.creator | Victoria Roux, MV | |
dc.creator | Jimenez, P | |
dc.creator | Davalos, JZ | |
dc.creator | Cabildo, P | |
dc.creator | Claramunt, RM | |
dc.creator | Pinilla, E | |
dc.creator | Rosario Torres, MR | |
dc.creator | Elguero, J | |
dc.date.accessioned | 2022-09-08T15:11:10Z | - |
dc.date.available | 2022-09-08T15:11:10Z | - |
dc.date.issued | 2010 | |
dc.identifier.issn | 0021-9614 | |
dc.identifier.other | sigarra:48940 | |
dc.identifier.uri | https://hdl.handle.net/10216/94035 | - |
dc.description.abstract | Thermochemical and thermophysical studies have been carried out for crystalline 3,4,4'-trichlorocarbanilide. The standard (p degrees = 0.1 MPa) molar enthalpy of formation, at T = 298.15 K, for the crystalline 3,4,4'-trichlorocarbanilide (TCC) was experimentally determined using rotating-bomb combustion calorimetry, as -(234.6 +/- 8.3) kJ . mol(-1). The standard enthalpy of sublimation, at the reference temperature of 298.15 K, was measured by the vacuum drop microcalorimetric technique, using a High Temperature Calvet Microcalorimeter as (182.1 +/- 1.7) kJ . mol(-1). These two thermochemical parameters yielded the standard molar enthalpy of formation of the studied compound, in the gaseous phase, at T = 298.15 K, as -(52.5 +/- 8.5) kJ . mol(-1). This parameter was also calculated by computational thermochemistry at M05-2X/6-311++G and B3LYP/6-311++G(3df, 2p) levels, with a deviation less than 4.5 kJ . mol(-1) from experimental value. Moreover, the thermophysical study was made by differential scanning calorimetry. DSC, over the temperature interval between T = 263K and its onset fusion temperature, T = (527.5 +/- 0.4) K. A solid-solid phase transition was found at T = (428 +/- 1) K, with the enthalpy of transition of (6.1 +/- 0.1) kJ . mol(-1). The X-ray crystal structure of TCC was determined and the three-centred N-H center dot center dot center dot O=C hydrogen bonds present analyzed. | |
dc.language.iso | eng | |
dc.rights | restrictedAccess | |
dc.subject | Química física, Engenharia química | |
dc.subject | Physical chemistry, Chemical engineering | |
dc.title | Energetic studies of urea derivatives: Standard molar enthalpy of formation of 3,4,4 '-trichlorocarbanilide | |
dc.type | Artigo em Revista Científica Internacional | |
dc.contributor.uporto | Faculdade de Ciências | |
dc.identifier.doi | 10.1016/j.jct.2009.11.012 | |
dc.identifier.authenticus | P-003-7WE | |
dc.subject.fos | Ciências da engenharia e tecnologias::Engenharia química | |
dc.subject.fos | Engineering and technology::Chemical engineering | |
Appears in Collections: | FCUP - Artigo em Revista Científica Internacional |
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File | Description | Size | Format | |
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48940.pdf Restricted Access | 608.54 kB | Adobe PDF | Request a copy from the Author(s) |
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