Catalytic synthesis of ethyl propionate from diethyl ether and carbon monoxide at high pressure

2007 ◽  
Vol 12 (4) ◽  
pp. 174-182 ◽  
Author(s):  
S. K. Bhattacharyya ◽  
S. K. Palit
Keyword(s):  
Carbon Monoxide ◽  
High Pressure ◽  
Diethyl Ether ◽  
Catalytic Synthesis ◽  
Ethyl Propionate

In-situ high-pressure study of the ordered phase of ethyl propionate

2007 ◽  
Vol 63 (1) ◽  
pp. 111-117 ◽  
Author(s):  
Roman Gajda ◽  
Andrzej Katrusiak
Keyword(s):  
High Pressure ◽  
Degrees Of Freedom ◽  
Molecular Volume ◽  
Ethyl Propionate ◽  
Intermolecular Contacts ◽  
High Pressure Study ◽  
Pressure Phase ◽  
Three Degrees Of Freedom ◽  
Volume Difference

Ethyl propionate, C5H10O2 (m.p. 199 K), has been in-situ pressure-frozen and its structure determined at 1.34, 1.98 and 2.45 GPa. The crystal structure of the new high-pressure phase (denoted β) is different from phase α obtained by lowering the temperature. The freezing pressure of ethyl propionate at 296 K is 1.03 GPa. The molecule assumes an extended chain s-trans–trans–trans conformation, only slightly distorted from planarity. The closest intermolecular contacts in both phases are formed between carbonyl O and methyl H atoms; however, the ethyl-group H atoms in phase β form no contacts shorter than 2.58 Å. A considerable molecular volume difference of 24.2 Å3 between phases α and β can be rationalized in terms of degrees of freedom of molecules arranged into closely packed structures: the three degrees of freedom allowed for rearrangements of molecules confined to planar sheets in phase α, but are not sufficient for obtaining a densely packed pattern.

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