From owner-chemistry@ccl.net Wed Nov 30 13:51:00 2005 From: "Eric Bennett ericb],[pobox.com" To: CCL Subject: CCL: pka of alcohols Message-Id: <-30124-051130120838-28640-yWtOyDdA+jwqrcRGcaCv2Q .. server.ccl.net> X-Original-From: Eric Bennett Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii; format=flowed Date: Wed, 30 Nov 2005 09:28:06 -0600 MIME-Version: 1.0 Sent to CCL by: Eric Bennett [ericb[]pobox.com] Goedele Roos groos_._vub.ac.be wrote: >Sent to CCL by: Goedele Roos [groos-*-vub.ac.be] >dear all, >can anyone provide a good reference of reliable pka`s of alcoholic compound (ROH-type) >Thank you in advance, >Goedele > > Not sure how large a data set you are looking for, but there are about 16 experimental alcohol pKas summarized in this paper on calcuating pKas through QM (see Table 5): Klicic et al, J Phys Chem A, vol 106, p 1327-35 (2002) -- Eric Bennett