EXPERIMENTAL CHEMISTRY I
EXPERIMENTAL CHEMISTRY I CH 361
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This 3 page Class Notes was uploaded by Dariana Wolff on Monday October 19, 2015. The Class Notes belongs to CH 361 at Oregon State University taught by Staff in Fall. Since its upload, it has received 35 views. For similar materials see /class/224557/ch-361-oregon-state-university in Chemistry at Oregon State University.
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Date Created: 10/19/15
Experimental Chemistry I Your Name PreLab 5 Winter Term 2008 PreLab assignments are due at 1 pm before lectureFeb 12 for TR section Feb 13 for WF section Brad Ashburn PhD Candidate in organic chemistry will give the lecture on computational chemistry this week and he has posted his slides on the course web page You may want to review these before working on this prelab This prelab has two questions with parts Question 1 5 points Conformational analysis is the study of the orientation or conformation of substituents in a molecule in threedimensional space This area of study is critically important to understand and predict reactivity in organic chemistry To better understand the true conformation of the H ester the dihedral angle between the indicated hydrogen atom and carbonyl HCCO was plotted versus the energy in kcalmol of each rotational isomer 0 m CH3 m0 0 0 CH3 HCCO Dihedral Angle HCCO Dihedral Angle 180 C 0 C DlhedralAngle vs Energy ConformationalAnalysis Using MW Molecular Mechanics Basis Set Energy kcnlmul E C D 30 60 90 120 150 180 21 D 24D 270 301 330 360 nihemal Angle ldegreesl a 2 pts These results were generated at the MM2 level in a molecular mechanics calculation Was this a good level of theory Give a brief explanation why you think this is the case b 2 pts As shown in the graph the points at 120 degrees and 240 degrees represent energy maXima Explain what interactions in each rotational isomer are responsible for the increased energy Hint It is recommended that you build a model and include the hydrogen atoms on the cyclohexane ring c 1 pt The energy values for 0 to 180 degrees are the same for 180 to 360 degrees resulting in a symmetrical graph Provide the rationale for this in terms of the stereochemistry and symmetry of the H ester Question 2 5 pts a 3 pts A 14354 g sample of naphthalene was burned in a constant volume bomb calorimeter system The water temperature was determined to change from 20283 C to 25952 C at an average rise time of 550 s Ifthe heat capacity ofthe bomb plus the water ie calorimeter constant is 1017 ld C calculate the speci c energy of combustion in kJ g and the molar energy of combustion AEC in kJmol for naphthalene MW 12817 Is this reaction endo or exothermic Show all work use proper significant gures and correct signs b 2 pts Based on your value for ABC for naphthalene calculate the standard molar enthalpy of combustion for naphthalene AHCO naphthalene 02 gt C0 H20 Hint You will probably need to balance this reaction Show all work use proper signi cant gures and correct signs Grading Criteria Experiment 1B cp 2008
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