{"id":5247,"date":"2020-04-30T17:08:28","date_gmt":"2020-04-30T15:08:28","guid":{"rendered":"https:\/\/akki.ut.ee\/?p=5247"},"modified":"2020-04-30T17:08:28","modified_gmt":"2020-04-30T15:08:28","slug":"the-ut-non-aqueous-pka-data-collections","status":"publish","type":"post","link":"https:\/\/akki.ut.ee\/en\/the-ut-non-aqueous-pka-data-collections\/","title":{"rendered":"The UT non-aqueous pKa data collections"},"content":{"rendered":"

\"\"<\/a>The UT Analytical Chemistry group is well known for its acid-base studies<\/a>, especially pK<\/i>a<\/sub>\u00a0measurements, in non-aqueous media. Up to recent time the measured data have been scattered among a number of publications containing pK<\/em>a measurements<\/a>.<\/p>\r\n

Now the pK<\/i>a<\/sub> data of acids and bases in different solvents \u2013 acids in MeCN and 1,2-Dichloroethane; bases in THF, MeCN and 1,2-dichloroethane \u2013 are compiled into collections of experimental acidity<\/a> and basicity<\/a> data in non-aqueous media measured by the UT analytical chemistry group are now up to date on group\u2019s webpage.<\/strong><\/p>\r\n

Both tables include the compounds name, CAS number and SMILES code. The acidity collection<\/a> contains 190 compounds, where the compounds available experimentally measured pK<\/i>a<\/sub> in acetonitrile (MeCN) and pK<\/i>ip<\/sub> in 1,2-dichloroethane (DCE) are given. The pK<\/i>a<\/sub> in DCE is calculated\/estimated based on pK<\/i>ip<\/sub> value.<\/p>\r\n

The basicity data collection<\/a> includes 353 compounds and their pK<\/i>ip<\/sub> in tetrahydrofuran (THF) and in DCE. The pK<\/i>a<\/sub> values in MeCN were re-evaluated taking into account all (close to 700) measurements of 279 bases. Therefore, these pK<\/i>a<\/sub> values can be considered the most reliable pK<\/i>a<\/sub> values measured in MeCN available!<\/p>\r\n

We welcome everybody to use the pK<\/i>a<\/sub> values and propose other compounds for which pK<\/i>a<\/sub> values should be measured.<\/p>\r\n

\u00a0<\/p>\r\n\r\n\r\n

<\/p>\r\n","protected":false},"excerpt":{"rendered":"

The UT Analytical Chemistry group is well known for its acid-base studies, especially pKa\u00a0measurements, in non-aqueous media. Up to recent time the measured data have been scattered among a number…<\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[54],"tags":[],"class_list":{"0":"post-5247","1":"post","2":"type-post","3":"status-publish","4":"format-standard","6":"category-news"},"_links":{"self":[{"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/posts\/5247","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/users\/3"}],"replies":[{"embeddable":true,"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/comments?post=5247"}],"version-history":[{"count":1,"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/posts\/5247\/revisions"}],"predecessor-version":[{"id":5248,"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/posts\/5247\/revisions\/5248"}],"wp:attachment":[{"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/media?parent=5247"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/categories?post=5247"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/akki.ut.ee\/en\/wp-json\/wp\/v2\/tags?post=5247"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}