2
0
2017
cri
sch
0
journal
Original
Cripwell, J. T. [Jamie T.]
Schwarz, C. E. [Cara E.]
Burger, A. J. [Andries J.]
J. Chem. Eng. Data
2017
2020-09-29
Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Isobaric vapor-liquid equilibrium (VLE) data were measured for two binary systems comprising n-heptane with one of di-n-propyl ether (DNPE) or butyl ethyl ether (BEE) at 60 kPa. Slight positive deviations from ideality were apparent in both systems, but not so strong as to result in azeotropic behavior. The data for both systems was shown to be thermodynamically consistent using both the Wisniak L/W and McDermott-Ellis consistency tests. Data were further well correlated by the NRTL activity coefficient model and fairly predicted using the Dortmund-modified UNIFAC model. The data presented serve to fill the gap in the literature for data sets of structural isomers of C6 ethers with n-heptane, where data for the linear isomers is absent. This data, combined with that available for the branched isomers, serve to highlight the role of polar functional group location on associated mixture behavior in such systems.
C6 ether
di-n-propyl ether
DNPE
butyl ethyl ether
heptane
vapor-liquid equilibria
phase equilibria
isomer
10.1021/acs.jced.6b00587
1
62
204-209
1
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
IMNFDUFMRHMDMM-UHFFFAOYSA-N
heptane
n-heptane
C7H16
1
Commercial source
1
99
2
Stated by supplier
2
None used
2
InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3
POLCUAVZOMRGSN-UHFFFAOYSA-N
dipropyl ether
1-propoxypropane
4-oxaheptane
propyl ether
C6H14O
1
Commercial source
1
99
2
Stated by supplier
2
None used
3
InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3
PZHIWRCQKBBTOW-UHFFFAOYSA-N
butyl ethyl ether
1-ethoxybutane
3-oxaheptane
ether, butyl ethyl
ether, ethyl butyl
ethyl butyl ether
C6H14O
1
Commercial source
1
99
2
Stated by supplier
2
None used
1
1
1
Principal objective of the work
EP
EP
10/31/2016
1
Vapor or sublimation pressure, kPa
Ebulliometric method (Recirculating still)
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
371.28
5
1
101.3
5
1
1.01
1
366.87
5
1
88.4
4
1
1
1
364.95
5
1
83.45
4
1
0.94
1
362.11
5
1
76.47
4
1
0.92
1
359.38
5
1
70.24
4
1
0.9
1
356.78
5
1
64.6
4
1
0.89
1
352.58
5
1
56.2
4
1
0.84
1
349.68
5
1
50.97
4
1
0.83
1
347.16
5
1
46.8
4
1
0.81
1
341.94
5
1
38.89
4
1
0.79
1
335.45
5
1
30.59
4
1
0.78
1
331.39
5
1
26.15
4
1
0.77
1
354.63
5
1
60
1
1
1
2
2
1
Principal objective of the work
EP
EP
10/12/2016
1
Vapor or sublimation pressure, kPa
Ebulliometric method (Recirculating still)
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
362.87
5
1
101.3
5
1
1.01
1
361.18
5
1
96.32
4
1
1.01
1
358.73
5
1
89.3
4
1
0.99
1
356.85
5
1
84.25
4
1
0.96
1
354.82
5
1
78.97
4
1
0.94
1
352.11
5
1
72.36
4
1
0.91
1
347.55
5
1
62.3
4
1
0.94
1
345.34
5
1
57.75
4
1
0.85
1
341.15
5
1
49.98
4
1
0.83
1
336.55
5
1
42.54
4
1
0.81
1
332.57
5
1
36.71
4
1
0.79
1
326.73
5
1
29.35
4
1
0.78
1
346.63
5
1
60
1
1
1
1
346.55
5
1
60
1
1
1
3
3
1
Principal objective of the work
EP
EP
10/31/2016
1
Vapor or sublimation pressure, kPa
Ebulliometric method (Recirculating still)
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
336.22
5
1
38.6
4
1
0.81
1
340.35
5
1
44.96
4
1
0.82
1
344.21
5
1
51.67
4
1
0.83
1
346.8
5
1
56.24
4
1
0.84
1
348.84
5
1
60
4
1
0.87
1
350.44
5
1
63.63
4
1
0.9
1
354.01
5
1
71.58
4
1
0.91
1
357.31
5
1
79.6
4
1
0.95
1
361.44
5
1
90.59
4
1
0.97
1
363.47
5
1
96.36
4
1
0.99
1
365.25
5
1
101.3
5
1
0.99
4
2
1
1
1
Principal objective of the work
EP
EP
10/31/2016
1
Boiling temperature at pressure P, K
Ebulliometric method (Recirculating still)
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
60
4
1
Mole fraction
2
Liquid
1
0
4
1
354.63
5
1
0.35
1
0.027
2
1
354.42
5
1
0.42
1
0.055
2
1
354.01
5
1
0.45
1
0.082
2
1
353.65
5
1
0.45
1
0.101
3
1
353.33
5
1
0.44
1
0.154
3
1
352.66
5
1
0.41
1
0.18
3
1
352.55
5
1
0.37
1
0.207
3
1
352.34
5
1
0.42
1
0.209
3
1
352.17
5
1
0.42
1
0.232
3
1
351.94
5
1
0.41
1
0.25
3
1
351.75
5
1
0.4
1
0.256
3
1
351.66
5
1
0.4
1
0.301
3
1
351.25
5
1
0.4
1
0.31
3
1
351.07
5
1
0.4
1
0.332
3
1
350.92
5
1
0.38
1
0.372
3
1
350.65
5
1
0.38
1
0.386
3
1
350.46
5
1
0.38
1
0.418
3
1
350.29
5
1
0.39
1
0.485
3
1
349.6
5
1
0.39
1
0.494
3
1
349.6
5
1
0.39
1
0.545
3
1
349.23
5
1
0.38
1
0.564
3
1
349.07
5
1
0.38
1
0.583
3
1
348.96
5
1
0.38
1
0.618
3
1
348.71
5
1
0.37
1
0.627
3
1
348.62
5
1
0.37
1
0.651
3
1
348.54
5
1
0.36
1
0.683
3
1
348.35
5
1
0.38
1
0.714
3
1
348.09
5
1
0.37
1
0.715
3
1
348.09
5
1
0.37
1
0.747
3
1
347.94
5
1
0.37
1
0.776
3
1
347.74
5
1
0.37
1
0.804
3
1
347.6
5
1
0.36
1
0.828
3
1
347.49
5
1
0.37
1
0.858
3
1
347.26
5
1
0.37
1
0.892
3
1
347.11
5
1
0.36
1
0.92
3
1
346.98
5
1
0.37
1
0.946
3
1
346.82
5
1
0.36
1
0.974
3
1
346.72
5
1
0.36
1
1
4
1
346.63
5
1
0.35
1
1
4
1
346.55
5
1
0.35
5
2
1
1
1
Principal objective of the work
EP
EP
10/31/2016
1
Mole fraction
Chromatography
2
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Pressure, kPa
Liquid
60
4
1
Mole fraction
2
Liquid
1
0
4
1
0
4
1
0.027
2
1
0.038
2
1
0.038
1
0.055
2
1
0.078
2
1
0.078
1
0.082
2
1
0.115
3
1
0.115
1
0.101
3
1
0.144
3
1
0.144
1
0.154
3
1
0.215
3
1
0.215
1
0.18
3
1
0.232
3
1
0.232
1
0.207
3
1
0.266
3
1
0.242
1
0.209
3
1
0.273
3
1
0.242
1
0.232
3
1
0.307
3
1
0.242
1
0.25
3
1
0.325
3
1
0.241
1
0.256
3
1
0.339
3
1
0.241
1
0.301
3
1
0.381
3
1
0.241
1
0.31
3
1
0.386
3
1
0.241
1
0.332
3
1
0.411
3
1
0.241
1
0.372
3
1
0.45
3
1
0.241
1
0.386
3
1
0.467
3
1
0.241
1
0.418
3
1
0.496
3
1
0.241
1
0.485
3
1
0.558
3
1
0.241
1
0.494
3
1
0.57
3
1
0.241
1
0.545
3
1
0.619
3
1
0.241
1
0.564
3
1
0.632
3
1
0.241
1
0.583
3
1
0.652
3
1
0.241
1
0.618
3
1
0.683
3
1
0.241
1
0.627
3
1
0.688
3
1
0.241
1
0.651
3
1
0.712
3
1
0.241
1
0.683
3
1
0.738
3
1
0.241
1
0.714
3
1
0.762
3
1
0.238
1
0.715
3
1
0.765
3
1
0.235
1
0.747
3
1
0.792
3
1
0.208
1
0.776
3
1
0.813
3
1
0.187
1
0.804
3
1
0.837
3
1
0.163
1
0.828
3
1
0.857
3
1
0.143
1
0.858
3
1
0.883
3
1
0.117
1
0.892
3
1
0.911
3
1
0.089
1
0.92
3
1
0.933
3
1
0.067
1
0.946
3
1
0.955
3
1
0.045
1
0.974
3
1
0.979
3
1
0.021
1
1
4
1
1
4
1
1
4
1
1
4
6
1
1
3
1
Principal objective of the work
EP
EP
10/31/2016
1
Boiling temperature at pressure P, K
Ebulliometric method (Recirculating still)
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
60
4
1
Mole fraction
3
Liquid
1
0
4
1
354.63
5
1
0.35
1
0
4
1
354.63
5
1
0.35
1
0.026
2
1
354.37
5
1
0.41
1
0.035
2
1
354.22
5
1
0.41
1
0.071
2
1
353.87
5
1
0.4
1
0.082
2
1
353.79
5
1
0.4
1
0.121
3
1
353.41
5
1
0.41
1
0.127
3
1
353.34
5
1
0.41
1
0.169
3
1
352.9
5
1
0.4
1
0.197
3
1
352.71
5
1
0.38
1
0.195
3
1
352.68
5
1
0.38
1
0.236
3
1
352.43
5
1
0.38
1
0.25
3
1
352.32
5
1
0.38
1
0.285
3
1
352.06
5
1
0.39
1
0.289
3
1
352
5
1
0.39
1
0.336
3
1
351.62
5
1
0.38
1
0.346
3
1
351.59
5
1
0.38
1
0.357
3
1
351.5
5
1
0.37
1
0.381
3
1
351.39
5
1
0.36
1
0.403
3
1
351.29
5
1
0.36
1
0.41
3
1
351.17
5
1
0.37
1
0.423
3
1
351.19
5
1
0.37
1
0.444
3
1
351.05
5
1
0.37
1
0.455
3
1
350.96
5
1
0.39
1
0.472
3
1
350.89
5
1
0.37
1
0.475
3
1
350.77
5
1
0.37
1
0.49
3
1
350.73
5
1
0.37
1
0.488
3
1
350.78
5
1
0.37
1
0.528
3
1
350.51
5
1
0.37
1
0.565
3
1
350.35
5
1
0.36
1
0.603
3
1
350.22
5
1
0.36
1
0.644
3
1
349.98
5
1
0.36
1
0.684
3
1
349.85
5
1
0.36
1
0.721
3
1
349.71
5
1
0.36
1
0.76
3
1
349.55
5
1
0.37
1
0.79
3
1
349.32
5
1
0.36
1
0.835
3
1
349.25
5
1
0.36
1
0.867
3
1
349.12
5
1
0.36
1
0.921
3
1
349.01
5
1
0.35
1
0.96
3
1
348.93
5
1
0.35
1
0.984
3
1
348.89
5
1
0.35
1
1
4
1
348.84
5
1
0.35
7
1
1
3
1
Principal objective of the work
EP
EP
10/31/2016
1
Mole fraction
Chromatography
3
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Pressure, kPa
Liquid
60
4
1
Mole fraction
3
Liquid
1
0
4
1
0
4
1
0
4
1
0
4
1
0.026
2
1
0.035
2
1
0.035
1
0.035
2
1
0.049
2
1
0.049
1
0.071
2
1
0.095
2
1
0.095
1
0.082
2
1
0.111
3
1
0.111
1
0.121
3
1
0.16
3
1
0.16
1
0.127
3
1
0.166
3
1
0.166
1
0.169
3
1
0.212
3
1
0.212
1
0.197
3
1
0.245
3
1
0.241
1
0.195
3
1
0.248
3
1
0.241
1
0.236
3
1
0.293
3
1
0.241
1
0.25
3
1
0.305
3
1
0.241
1
0.285
3
1
0.344
3
1
0.241
1
0.289
3
1
0.348
3
1
0.241
1
0.336
3
1
0.395
3
1
0.241
1
0.346
3
1
0.4
3
1
0.241
1
0.357
3
1
0.413
3
1
0.241
1
0.381
3
1
0.436
3
1
0.241
1
0.403
3
1
0.459
3
1
0.241
1
0.41
3
1
0.466
3
1
0.241
1
0.423
3
1
0.479
3
1
0.241
1
0.444
3
1
0.504
3
1
0.241
1
0.455
3
1
0.511
3
1
0.241
1
0.472
3
1
0.525
3
1
0.241
1
0.475
3
1
0.528
3
1
0.241
1
0.49
3
1
0.543
3
1
0.241
1
0.488
3
1
0.546
3
1
0.241
1
0.528
3
1
0.579
3
1
0.241
1
0.565
3
1
0.615
3
1
0.241
1
0.603
3
1
0.644
3
1
0.241
1
0.644
3
1
0.68
3
1
0.241
1
0.684
3
1
0.716
3
1
0.241
1
0.721
3
1
0.749
3
1
0.241
1
0.76
3
1
0.783
3
1
0.217
1
0.79
3
1
0.811
3
1
0.189
1
0.835
3
1
0.851
3
1
0.149
1
0.867
3
1
0.879
3
1
0.121
1
0.921
3
1
0.927
3
1
0.073
1
0.96
3
1
0.963
3
1
0.037
1
0.984
3
1
0.985
3
1
0.015
1
1
4
1
1
4