Chemical Physics Letters 695 (2018) 107–111 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Determination of molar enthalpy of sublimation in case of orotic acid as obtained from experimental and computational data Ilya I. Marochkin , Ekaterina P. Altova, Norbert S. Chilingarov, Anna L. Vilkova, Igor F. Shishkov Department of Chemistry, M.V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation article i nfo abstract Article history: Saturated vapor pressure, ln(p/Pa)=(21316 ± 511)/(T/K)+(41.64 ± 0.11), and enthalpy of sublimation of Received 11 December 2017 orotic acid, D H ðT Þ = 177 ± 4 kJ/mol, were determined by means of Knudsen effusion mass spectrom- sub m In ﬁnal form 5 February 2018 etry in the temperature range of 423493 K. The computational approaches supported the experimental Available online 6 February 2018 results reported. The theoretical estimation of the gas-phase enthalpy of formation for orotic acid was done with different working reactions used. Keywords: 2018 Elsevier B.V. All rights reserved. Enthalpy of sublimation Knudsen effusion mass spectrometry Group contribution model Electrostatic potential model Enthalpy of formation 1. Introduction The thermochemical characteristic of orotic acid, such as exper- imental values of enthalpies of sublimation and formation, are
Chemical Physics Letters – Elsevier
Published: Mar 1, 2018
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