Solubility of phenylphosphonic acid (PPOA) in 15 solvents
(methanol, ethanol, n-propanol, isopropyl alcohol,
1-butanol, 1-pentanol, 1-hexanol, 1-heptanol, 1-octanol, 2-methoxyethanol,
2-ethoxyethanol, 2-propoxyethanol, 2-butoxyethanol, acetone, and 1,4-dioxane)
was measured by the isothermal saturation method under 0.1 MPa. Solubility
of PPOA increased with increasing temperature. The interaction energies
between PPOA and selected solvents were calculated by molecular simulation
to explain the solubility order. Experimental solubility was correlated
by five thermodynamic models including the modified Apelblat equation,
uniquac, the nonrandom two-liquid (NRTL)-segment activity coefficient
(SAC), NRTL, and the Wilson model. The modified Apelblat equation,
NRTL, and NRTL-SAC were more applicable for fitting of solubility
data of PPOA. Thermodynamic properties of the mixing process including
the mixing Gibbs energy (Δmix
G),
mixing enthalpy (Δmix
H), and mixing
entropy (Δmix
S) were investigated
by the Wilson equation. The mixing process was spontaneous, exothermic,
and entropy-driven.