ABSTRACT

Solid liquid equilibria (SLE) measurements have been undertaken for carboxylic acid systems comprising (butyric acid + propionic or pentanoic acid) and (heptanoic acid + propionic or butyric or pentanoic or hexanoic acid) via a synthetic method using two complementary pieces of equipment. The measurements have been obtained at atmospheric pressure and over the temperature range of (225.6 to 270.7) K. All the acid mixtures exhibit a eutectic point in their respective phase diagrams, which have been determined experimentally. The estimated maximum uncertainties in the reported temperatures and compositions are +-1 K and +-0.0006 mole fraction, respectively. The experimental data have been satisfactorily correlated with the Wilson and NRTL activity coefficient models.

Compounds

#	Formula	Name
1	C3H6O2	propanoic acid
2	C4H8O2	butanoic acid
3	C5H10O2	pentanoic acid
4	C6H12O2	hexanoic acid
5	C7H14O2	heptanoic acid
6	C6H12	cyclohexane
7	C16H34	hexadecane

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	1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	digital refractometer	1
POMD	1	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Heating/Cooling curves	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	digital refractometer	1
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Heating/Cooling curves	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	digital refractometer	1
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Heating/Cooling curves	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	digital refractometer	1
POMD	4	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Heating/Cooling curves	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	digital refractometer	1
POMD	5	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Heating/Cooling curves	1
POMD	6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	digital refractometer	1
POMD	6	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Heating/Cooling curves	1
POMD	7	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	digital refractometer	1
POMD	7	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	Heating/Cooling curves	1
POMD	7	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	OTHER::sMethod:heating/cooling curves	1
POMD	6 7	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 6; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 6	heating/cooling curves	4
POMD	6 7	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 6; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 7	heating/cooling curves	8
POMD	1 2	Eutectic composition: mole fraction - 2 ; Crystal - 1			Crystal - 1 Crystal - 2 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	1 2	Eutectic temperature, K ; Crystal - 1			Crystal - 1 Crystal - 2 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	1 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	heating/cooling curves	6
POMD	1 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	heating/cooling curves	10
POMD	2 3	Eutectic composition: mole fraction - 2 ; Crystal - 2			Crystal - 2 Crystal - 3 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	2 3	Eutectic temperature, K ; Crystal - 2			Crystal - 2 Crystal - 3 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	2 3	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	heating/cooling curves	5
POMD	2 3	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	heating/cooling curves	10
POMD	1 5	Eutectic composition: mole fraction - 5 ; Crystal - 5			Crystal - 5 Crystal - 1 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	1 5	Eutectic temperature, K ; Crystal - 1			Crystal - 1 Crystal - 5 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	1 5	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	heating/cooling curves	5
POMD	1 5	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	heating/cooling curves	9
POMD	2 5	Eutectic composition: mole fraction - 5 ; Crystal - 5			Crystal - 5 Crystal - 2 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	2 5	Eutectic temperature, K ; Crystal - 2			Crystal - 2 Crystal - 5 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	2 5	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	heating/cooling curves	11
POMD	2 5	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	heating/cooling curves	10
POMD	3 5	Eutectic composition: mole fraction - 5 ; Crystal - 5			Crystal - 5 Crystal - 3 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	3 5	Eutectic temperature, K ; Crystal - 3			Crystal - 3 Crystal - 5 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	3 5	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	heating/cooling curves	3
POMD	3 5	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	heating/cooling curves	11
POMD	5 4	Eutectic composition: mole fraction - 5 ; Crystal - 5			Crystal - 5 Crystal - 4 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	5 4	Eutectic temperature, K ; Crystal - 5			Crystal - 5 Crystal - 4 Liquid Air at 1 atmosphere	Derived from phase diagram analysis	1
POMD	5 4	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	heating/cooling curves	10
POMD	5 4	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	heating/cooling curves	10

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solid liquid equilibria measurements for binary systems comprising (butyric acid + propionic or pentanoic acid) and (heptanoic acid + propionic or butyric or pentanoic or hexanoic acid)

Tadie, M.[Margreth], Bahadur, I.[Indra], Reddy, P.[Prashant], Ngema, P. T.[Peterson Thokozani], Naidoo, P.[Paramespri], Deenadayalu, N.[Nirmala], Ramjugernath, D.[Deresh]

ABSTRACT