ABSTRACT

Vapor liquid equilibrium (VLE) data were measured for the nine ketone/alkane pairs comprising one of 2-heptanone, 3-heptanone, and 4-heptanone with n-octane, n-nonane, and n-decane at an absolute pressure of 40 kPa. Thermodynamic consistency of the data was checked using the Wisniak L/W and McDermott Ellis consistency tests. Azeotropic points were observed in all nine systems at the considered operating pressure and the data were correlated with the NRTL activity coefficient model. The data showed that the location of the dipolar carbonyl group influences the binary phase behavior of ketone structural isomers with a common second component.

Compounds

#	Formula	Name
1	C2H6O	ethanol
2	C4H10O	butan-1-ol
3	C8H18	octane
4	C9H20	nonane
5	C10H22	decane
6	C7H14O	2-heptanone
7	C7H14O	3-heptanone
8	C7H14O	4-heptanone

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	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	3
POMD	5	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	6	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	21
POMD	7	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	17
POMD	8	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	15
POMD	1 2	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	29
POMD	1 2	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	29
POMD	6 3	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	34
POMD	6 3	Mole fraction - 3 ; Gas	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	34
POMD	6 3	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	6 3	Azeotropic composition: mole fraction - 3 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	7 3	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	30
POMD	7 3	Mole fraction - 3 ; Gas	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	30
POMD	7 3	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	7 3	Azeotropic composition: mole fraction - 3 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	3 8	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	42
POMD	3 8	Mole fraction - 3 ; Gas	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	42
POMD	3 8	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	3 8	Azeotropic composition: mole fraction - 3 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	6 4	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	6 4	Azeotropic composition: mole fraction - 4 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	6 4	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	30
POMD	6 4	Mole fraction - 4 ; Gas	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	30
POMD	7 4	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	7 4	Azeotropic composition: mole fraction - 4 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	7 4	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	34
POMD	7 4	Mole fraction - 4 ; Gas	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	34
POMD	4 8	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	4 8	Azeotropic composition: mole fraction - 4 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	4 8	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	39
POMD	4 8	Mole fraction - 4 ; Gas	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	39
POMD	6 5	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	6 5	Azeotropic composition: mole fraction - 5 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	6 5	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	35
POMD	6 5	Mole fraction - 5 ; Gas	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	35
POMD	7 5	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	7 5	Azeotropic composition: mole fraction - 5 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	7 5	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	38
POMD	7 5	Mole fraction - 5 ; Gas	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	38
POMD	8 5	Azeotropic temperature, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	8 5	Azeotropic composition: mole fraction - 5 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	8 5	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	35
POMD	8 5	Mole fraction - 5 ; Gas	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	35

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

Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane

Cripwell, J. T.[Jamie T.], Schwarz, C. E.[Cara E.], Burger, A. J.[Andries J.]

ABSTRACT