ABSTRACT

Deep eutectic solvents (DES) are regarded as a promising and emerging alternative for the volatile organic compounds (VOC) due to their cost-effectiveness and environmentally sustainable nature. Formulation of new DESs and thorough investigation of their physicochemical properties have been on rise ever since potential applications of DES have been realized. The present study reports a new series of DES based on Benzyltrimethylammonium chloride and Benzyltributylammonium chloride as hydrogen bond acceptor (HBA) with three ethylene glycols and glycerols as hydrogen bond donors (HBD). The current work includes the synthesis, characterization and investigation of thermophysical properties of series of DES systems. The studied properties include density, n speed of sound, u viscosity, . refractive index, nD and electrical conductivity, o for all DESs in the temperature range of 283.15 to 343.15 K. The observed trends in properties like density, speed of sound, viscosity and refractive indices were correlated with appropriate equations and some industrially useful parameters have also been derived. An insight about the internal association in these DESs has been analyzed through the rheological and fourier-transform infrared (FTIR) spectroscopy. The newly synthesized DESs have also been investigated for their efficiency in aqueous biphasic system (ABS) formation. This systematic study revealed the influence of both HBD/HBA and temperature on the physicochemical characteristics of the DESs.

Compounds

#	Formula	Name
1	C2H6O2	1,2-ethanediol
2	C4H10O3	diethylene glycol
3	C6H14O4	triethylene glycol
4	C10H16ClN	trimethylbenzylammonium chloride
5	C19H34ClN	benzyltributylammonium chloride
6	C3H8O3	glycerol
7	K3O4P	tripotassium phosphate
8	H2O	water

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	4 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Vibrating tube method	13
POMD	4 1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Single path-length method	13
POMD	4 1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Falling or rolling sphere viscometry	13
POMD	4 1	Electrical conductivity, S/m ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Alternating current cell with electrodes	13
POMD	4 1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Standard Abbe refractometry	13
POMD	4 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Vibrating tube method	13
POMD	4 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Single path-length method	13
POMD	4 2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Falling or rolling sphere viscometry	13
POMD	4 2	Electrical conductivity, S/m ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Alternating current cell with electrodes	13
POMD	4 2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Standard Abbe refractometry	13
POMD	4 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Vibrating tube method	13
POMD	4 3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Single path-length method	13
POMD	4 3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Falling or rolling sphere viscometry	13
POMD	4 3	Electrical conductivity, S/m ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Alternating current cell with electrodes	13
POMD	4 3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Standard Abbe refractometry	13
POMD	5 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Vibrating tube method	13
POMD	5 1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Single path-length method	13
POMD	5 1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Falling or rolling sphere viscometry	13
POMD	5 1	Electrical conductivity, S/m ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Alternating current cell with electrodes	13
POMD	5 1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Standard Abbe refractometry	13
POMD	5 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Vibrating tube method	13
POMD	5 2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Single path-length method	13
POMD	5 2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Falling or rolling sphere viscometry	13
POMD	5 2	Electrical conductivity, S/m ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Alternating current cell with electrodes	13
POMD	5 2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Standard Abbe refractometry	13
POMD	5 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Vibrating tube method	13
POMD	5 3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Single path-length method	13
POMD	5 3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Falling or rolling sphere viscometry	13
POMD	5 3	Electrical conductivity, S/m ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Alternating current cell with electrodes	13
POMD	5 3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Standard Abbe refractometry	13
POMD	4 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Vibrating tube method	13
POMD	4 6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Single path-length method	13
POMD	4 6	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Falling or rolling sphere viscometry	12
POMD	4 6	Electrical conductivity, S/m ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Alternating current cell with electrodes	13
POMD	4 6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Standard Abbe refractometry	13
POMD	5 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Vibrating tube method	13
POMD	5 6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Single path-length method	13
POMD	5 6	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Falling or rolling sphere viscometry	10
POMD	5 6	Electrical conductivity, S/m ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Alternating current cell with electrodes	13
POMD	5 6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Standard Abbe refractometry	13
POMD	7 4 8	Mass fraction - 4 ; Liquid mixture 1	Mass fraction - 7; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	24

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Effect of Ethylene, Diethylene, and Triethylene Glycols and Glycerol on the Physicochemical Properties and Phase Behavior of Benzyltrimethyl and Benzyltributylammonium Chloride Based Deep Eutectic Solvents at 283.15-343.15 K

Basaiahgari, Anusha, Panda, Somenath, Gardas, Ramesh L.

ABSTRACT