Determination of vapor pressure, water solubility, gas-water partition coefficient P GW, Henry's law constant, and octanol-water partition coefficient P OW OF 26 alkyl dinitrates

Abstract

The octanol-water partition coefficient (P OW), water solubility (S H2O) and vapor pressure of the sub cooled liquid (p 0 l ) have been determined for 26 alkyl dinitrates. The octanol-water partition coefficients range from log P OW = 1.4 for 1,2-ethyl dinitrate to log P OW = 5.9 for 1,2-decyl dinitrate, respectively. The experimental results agree, within ±- 0.15 log units, with calculations of log P OW by the increment method according to Hansch and Leo. Water solubilities are in the range of 154 mol m −3 (23.1 g L −1) for 1,2-ethyl dinitrate and 0.002 mol m −3 (0.5 mg L −1) for 1,2-decyl dinitrate, respectively. The vapor pressures P 0 l range from 150.5 Pa for 1,2-propyl dinitrate to 0.01 Pa for the 1,10-decyl dinitrate. The Henry's law constants expressed as the gas-water partition constants P GW (dimensionless) ranges from P GW = 0.0003 for 1,3-propyl dinitrate up to P GW = 0.020 for 1,2-decyl dinitrate. The knowledge of the physico-chemical parameters allows modelling of the multiphase distribution of this new class of organic atmospheric trace compounds in the environment.