Patton J S, Stone B, Papa C, Abramowitz R, Yalkowsky S H
J Lipid Res. 1984 Feb;25(2):189-97.
The fat solubilities of some long chain fatty acids, alcohols, alkanes, and triacyglycerols, and of some aromatic, chlorinated aromatic, and chlorinated aliphatic hydrocarbons were measured in trioleoylglycerol. Above their melting temperature, all test compounds are theoretically miscible with liquid fat. Below their melting temperature the solubility of all test compounds can be estimated by the equation: log (mole fraction solubility) = (Formula: see text) where delta Sf, the entropy of fusion, can be estimated from chemical structure according to Yalkowsky and Valvani (J. Pharm. Sci. 1980. 69:912-922), and the melting point (Tm) is either known or experimentally determined. For long chain compounds, solubility in trioleoylglycerol dropped precipitously with an increase in melting point. For the aromatic and chlorinated compounds, the drop was more gradual. Since the entropy of fusion of rigid aromatic compounds is approximately 13.5 e.u. at room temperature, their solubility in triacylglycerol is a linear function of melting point.
在三油酰甘油中测定了一些长链脂肪酸、醇、烷烃和三酰甘油，以及一些芳香烃、氯代芳香烃和氯代脂肪烃的脂溶性。在其熔点以上，所有测试化合物理论上都可与液态脂肪互溶。在其熔点以下，所有测试化合物的溶解度可通过以下方程估算：log（摩尔分数溶解度）=（公式：见文本），其中熔化熵（δSf）可根据Yalkowsky和Valvani（《药物科学杂志》1980年。69:912 - 922）从化学结构估算得出，熔点（Tm）已知或通过实验测定。对于长链化合物，在三油酰甘油中的溶解度随熔点升高而急剧下降。对于芳香族和氯代化合物，下降较为平缓。由于刚性芳香族化合物在室温下的熔化熵约为13.5 e.u.，它们在三酰甘油中的溶解度是熔点的线性函数。
