Thermophysical properties of {(±)-linalool + propan-1-ol}: A first stage towards the development of a green process

In this paper, densities, speeds of sound and refractive indexes of binary mixture of {(±)-linalool (1) + propan-1-ol (2)} at four temperatures (283.15, 298.15, 313.15, and 328.15) K and 0.1 MPa are reported over the whole composition range. These data were used to calculate excess molar volume, speed of sound deviation, excess isentropic compressibility, refractive index deviation, molar refraction, and molar refraction deviation at the four work temperatures. All magnitudes were fitted to the Redlich–Kister equation. Subsequently prediction of speed of sound and refractive index was carried out using several theoretical models or equations. On the other hand, the density of the same mixture was determined in the same temperature range at pressures from 20 MPa to 40 MPa. Four equation of state (Peng–Robinson, Patel–Teja, SAFT, PC-SAFT) were tested as predictive models of the PρT behavior. The best results were obtained by PC-SAFT, with an average absolute deviation of 0.83%.

Research highlights
► Optimization of supercritical processes needs adequate methods to reproduce the phase behavior.
► ρ, u, nD and related properties of the system linalool+propan-1-ol were studied.
► Collision Factor (u), Lorentz-Lorenz and Gladstone -Dale (nD) give the best results.
► Peng-Robinson, Patel-Teja, SAFT and PC-SAFT were tested as predictive PρT models.
► PC-SAFT provides the best PρT prediction (20-40 MPa) with an AAD% of 0.83.