1 Electronic Supplementary Data Volumetric, acoustical and computational study on molecular interactions in binary mixtures of Ricinoleic acid with some halobenzenes Sangita Sharma*, Ashishkumar Swami & Paras Patel Department of Chemistry, Hemchandracharya North Gujarat University, Patan 384 265, Gujarat, India Email: smridhee2000@yahoo.co.in No. Contents Pg No. 1 Fig. S1 ⸺ Optimized geometric structures of Ricinoleic Acid + Chlorobenzene binary mixture (with three interaction site) in 3D MESP Surface based on B3LYP/6-31+G(d,p) at 303.15K. 2 2 Fig. S2 ⸺ Optimized geometric structures of Ricinoleic Acid + Bromobenzene binary mixture (with three interaction site) in 3D MESP Surface based on B3LYP/6-31+G(d,p) at 303.15K. 2 3 Fig. S3 ⸺ Bond length and Mulliken charges between atoms of pure Ricinoleic acid, Chlorobenzene and their binary mixtures at 303.15K. 3 4 Fig. S4 ⸺ Bond length and Mulliken charges between atoms of pure Ricinoleic acid, Bromobenzene and their binary mixtures at 303.15K. 3 5 Table S1 ⸺ Experimental Densities ሺሻ and calculated Excess Molar Volume ሺ ா ሻ vs Mole Fraction ሺ ଵ ሻ for Ricinoleic Acid + Halobenzene Binary Mixtures. 4 6 Table S2 ⸺ Fitting Coefficients ሺ , ଵ , ଶ , ଷ , ସ ሻ with Standard Deviation (ሻ for Least Square Representation of ா for Ricinoleic Acid + Halobenzene Binary Mixtures. 4 7 Table S3 ⸺ Experimental Speed of Sound ሺ ሻ and Calculated Deviation in Speed of Sound ሺ ∆ ሻ for Ricinoleic Acid + Halobenzene Binary Mixtures. 5 8 Table S4 ⸺ Calculated Isentropic Compressibility ሺ ௌ ሻ and Deviation in Isentropic Compressibility ሺ∆ ௌ ሻ for Ricinoleic Acid + Halobenzene Binary Mixtures. 5 9 Table S5 ⸺ Fitting Coefficients ሺ , ଵ , ଶ , ଷ , ସ ሻ with Standard Deviation (ሻ for Least Square Representation of ∆ ௌ for Ricinoleic Acid + Halobenzene Binary Mixtures. 6 10 Table S6 ⸺ Calculated Acoustical Impedances and Deviation in Acoustical impedances ሺ ∆ ሻ for Ricinoleic Acid + Halobenzene Binary Mixtures. 6 11 Table S7 ⸺ Fitting Coefficients ሺ , ଵ , ଶ , ଷ , ସ ሻ with Standard Deviation (ሻ for Least Square Representation of ∆ for Ricinoleic acid + Halobenzene Binary Mixtures. 7 12 Table S8 ⸺ Calculated Intermolecular Free Length ሺ ሻ for Ricinoleic Acid + Halobenzene Binary Mixtures. 7 13 Table S9 ⸺ Average Percentage Deviation (%ሻ in the Speed of sound from Various Theoretical Relations for Ricinoleic Acid + Halobenzene Binary Mixtures. 8 14 Table S10 ⸺ Optimized Geometric Bond Length Parameter of Pure Components and their Mixtures using DFT/B3LYP with 6-31+G* (d,p) at 303.15K. 8 15 Table S11 ⸺ Optimized Geometric Mullikan Charge Parameter of Pure Components and their Mixtures using DFT/B3LYP with 6-31+G* (d,p) at 303.15K. 9 16 Table S12 ⸺ Optimized Geometric Bond Angle Parameter of Pure Components and their Mixtures using DFT/B3LYP with 6-31+G* (d,p) at 303.15K. 10 17 Table S13 ⸺ NBO (Natural bond orbital) analysis data of second order perturbation energy level Ricinoleic Acid + Chlorobenzene and Ricinoleic Acid + Bromobenzene using DFT/B3LYP with 6-31+G* (d,p) at 303.15K. 12