TY - JOUR
T1 - Solubility of (S)-3-(Aminomethyl)-5-Methylhexanoic Acid in Pure and Binary Solvent Mixtures
AU - Cogoni, Giuseppe
AU - De Souza, Brian
AU - Croker, Denise M.
AU - Frawley, Patrick J.
N1 - Publisher Copyright:
© 2016 American Chemical Society.
PY - 2016/1/14
Y1 - 2016/1/14
N2 - The solubility of (S)-3-(aminomethyl)-5-methylhexanoic acid in both 2-propanol and water and methanol and water mixtures, as well as in pure solvents, is reported across the temperature range of 283.15-338.15 K, as determined gravimetrically under atmospheric conditions. The experimental data is correlated using the empirical Apelblat and (CNIBS)/Redlich-Kister equations to describe the influence of temperature and solvent composition on solubility, respectively. A maximum solubility is observed between x2/(x2 + x3) = 0.15 and x2/(x2 + x3) = 0.25 for 2-propanol and water mixtures and between x2/(x2 + x3) = 0.35 and x2/(x2 + x3) = 0.5 for methanol and water mixtures. The solubility data is then used to estimate the binary activity coefficient using the Wilson and NRTL activity coefficient models, as well as the coefficients of the Jouyban-Acree empirical solubility model, as a function of temperature and composition. The goodness of fit is determined using the mean square error as a metric in which the Jouyban-Acree model provides the best fit to the solubility data. The modified Apelblat equation is also used to calculate enthalpies of solution under standard conditions.
AB - The solubility of (S)-3-(aminomethyl)-5-methylhexanoic acid in both 2-propanol and water and methanol and water mixtures, as well as in pure solvents, is reported across the temperature range of 283.15-338.15 K, as determined gravimetrically under atmospheric conditions. The experimental data is correlated using the empirical Apelblat and (CNIBS)/Redlich-Kister equations to describe the influence of temperature and solvent composition on solubility, respectively. A maximum solubility is observed between x2/(x2 + x3) = 0.15 and x2/(x2 + x3) = 0.25 for 2-propanol and water mixtures and between x2/(x2 + x3) = 0.35 and x2/(x2 + x3) = 0.5 for methanol and water mixtures. The solubility data is then used to estimate the binary activity coefficient using the Wilson and NRTL activity coefficient models, as well as the coefficients of the Jouyban-Acree empirical solubility model, as a function of temperature and composition. The goodness of fit is determined using the mean square error as a metric in which the Jouyban-Acree model provides the best fit to the solubility data. The modified Apelblat equation is also used to calculate enthalpies of solution under standard conditions.
UR - http://www.scopus.com/inward/record.url?scp=84955458529&partnerID=8YFLogxK
U2 - 10.1021/acs.jced.5b00736
DO - 10.1021/acs.jced.5b00736
M3 - Article
AN - SCOPUS:84955458529
SN - 0021-9568
VL - 61
SP - 587
EP - 593
JO - Journal of Chemical and Engineering Data
JF - Journal of Chemical and Engineering Data
IS - 1
ER -