Sarraute S, Delepine H, Costa Gomes M F, Majer V
Laboratoire de Thermodynamique des Solutions et des Polymères, UMR 6003, CNRS/Univ. Blaise Pascal, 24, avenue des Landais, 63177 Aubière Cedex, France.
Chemosphere. 2004 Dec;57(10):1543-51. doi: 10.1016/j.chemosphere.2004.07.046.
New data on the aqueous solubility of n-octane, 1-chlorooctane and 1-bromooctane are reported between 1 degree C and 45 degrees C. Henry's law constants, K(H), and air/water partition coefficients, K(AW), were calculated by associating the measured solubility values to vapor pressures taken from literature. The mole fraction aqueous solubility varies between (1.13-1.60)x10(-7) for n-octane with a minimum at approximately 23 degrees C, (3.99-5.07)x10(-7) for 1-chlorooctane increasing monotonically with temperature and (1.60-3.44)x10(-7) for 1-bromooctane with a minimum near 18 degrees C. The calculated air-water partition coefficients increase with temperature and are two orders of magnitude lower for the halogenated derivatives compared to octane. The precision of the results, taken as the average absolute deviations of the aqueous solubility, the Henry's law constants, or the air/water partition coefficients, from appropriate smoothing equations as a function of temperature is of 3% for n-octane and of 2% and 4% for 1-chlorooctane and 1-bromooctane, respectively. A new apparatus based on the dynamic saturation column method was used for the solubility measurements. Test measurements with n-octane indicated the capability of measuring solubilities between 10(-6) and 10(-10) in mole fraction, with an estimated accuracy better than +/-10%. A thorough thermodynamic analysis of converting measured data to air/water partition coefficients is presented.
报道了正辛烷、1-氯辛烷和1-溴辛烷在1℃至45℃之间的水溶解度新数据。通过将测得的溶解度值与文献中的蒸气压相关联，计算了亨利定律常数K(H)和空气/水分配系数K(AW)。正辛烷的摩尔分数水溶解度在(1.13 - 1.60)×10⁻⁷之间变化，在约23℃时达到最小值；1-氯辛烷的摩尔分数水溶解度在(3.99 - 5.07)×10⁻⁷之间，随温度单调增加；1-溴辛烷的摩尔分数水溶解度在(1.60 - 3.44)×10⁻⁷之间，在18℃附近达到最小值。计算得到的空气-水分配系数随温度升高，卤代衍生物的该系数比辛烷低两个数量级。结果的精度，以水溶解度、亨利定律常数或空气/水分配系数相对于温度的适当平滑方程的平均绝对偏差表示，正辛烷为3%，1-氯辛烷和1-溴辛烷分别为2%和4%。使用了一种基于动态饱和柱法的新装置进行溶解度测量。用正辛烷进行的测试测量表明，能够测量摩尔分数在10⁻⁶至10⁻¹⁰之间的溶解度，估计准确度优于±10%。给出了将测量数据转换为空气/水分配系数的全面热力学分析。
