2
0
2017
ke
din
0
journal
Original
Ke, W.[Wenjing]
Ding, H.[Hui]
Gao, Y.[Yujie]
Liu, S.[Shejiang]
Xing, Z.[Zhongpeng]
Gui, J.[Jianzhou]
Liu, D.[Dan]
J. Chem. Thermodyn.
2017
2020-09-29
Isobaric vapor-liquid equilibrium for binary system of methyl caprylate + methyl caprate at 2, 6 and 10 kPa
The isobaric vapor-liquid equilibrium data for the binary system methyl caprylate (1) + methyl caprate (2) at 2, 6 and 10 kPa were measured with a modified Othmer still. All the experimental data were verified to be thermodynamically consistent according to the Van Ness test method. Two activity coefficient models (Wilson and NRTL) were applied to regress the experimental values. Furthermore, the group contribution method (UNIFAC) and the COSMO-SAC model were also employed to predict vapor-liquid equilibrium data. The four models reproduced the experimental values very well, while the NRTL model provided a slightly better result than the other three models, with the root mean square deviations of temperature and vapor-phase mole fraction less than 0.36 K and 0.0042, respectively.
Methyl caprylate
Methyl caprate
Vapor-liquid equilibrium
NRTL
UNIFAC
COSMO-SAC
10.1016/j.jct.2016.11.024
106
145-152
1
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
JGHZJRVDZXSNKQ-UHFFFAOYSA-N
methyl octanoate
caprylic acid methyl ester
methyl caprylate
octanoic acid, methyl ester
C9H18O2
1
Commercial source
1
99.7
3
Gas chromatography
2
0.067
2
Karl Fischer titration
2
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
methyl decanoate
capric acid, methyl ester
decanoic acid, methyl ester
methyl caprate
methyl caprinate
C11H22O2
1
Commercial source
1
99.5
3
Gas chromatography
2
0.09
2
Karl Fischer titration
1
1
1
Principal objective of the work
AB
TRC
6/27/2017
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
356.53
5
1
2
1
1
0.205
1
380.5
5
1
6
1
1
0.606
1
391.77
5
1
10
1
1
1.005
2
2
1
Principal objective of the work
AB
TRC
6/27/2017
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
389.1
5
1
2
1
1
0.205
1
412.93
5
1
6
1
1
0.606
1
424.43
5
1
10
1
1
1.01
3
2
1
1
1
Principal objective of the work
AB
TRC
6/27/2017
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
2
Mole fraction
1
Liquid
1
2
1
2
0
5
1
389.1
5
1
1.72
1
2
1
2
0.0599
3
1
384.54
5
1
1.89
1
2
1
2
0.0876
3
1
382.68
5
1
1.84
1
2
1
2
0.1403
4
1
379.6
5
1
1.8
1
2
1
2
0.1772
4
1
378.05
5
1
1.74
1
2
1
2
0.2702
4
1
374.23
5
1
1.7
1
2
1
2
0.3594
4
1
370.96
5
1
1.67
1
2
1
2
0.5113
4
1
366.72
5
1
1.65
1
2
1
2
0.6194
4
1
364.2
5
1
1.64
1
2
1
2
0.7321
4
1
362.67
5
1
1.62
1
2
1
2
0.8258
4
1
361.11
5
1
1.6
1
2
1
2
0.8732
4
1
360.38
5
1
1.64
1
2
1
2
1
5
1
356.53
5
1
1.73
1
6
1
2
0
5
1
412.93
5
1
3.76
1
6
1
2
0.0595
3
1
408.87
5
1
3.99
1
6
1
2
0.0899
3
1
406.82
5
1
3.89
1
6
1
2
0.1437
4
1
403.53
5
1
3.91
1
6
1
2
0.1793
4
1
401.41
5
1
3.8
1
6
1
2
0.2727
4
1
397.19
5
1
3.76
1
6
1
2
0.364
4
1
393.96
5
1
3.72
1
6
1
2
0.5175
4
1
389.4
5
1
3.72
1
6
1
2
0.6476
4
1
386.72
5
1
3.71
1
6
1
2
0.7441
4
1
384.71
5
1
3.64
1
6
1
2
0.834
4
1
383.1
5
1
3.62
1
6
1
2
0.8774
4
1
382.33
5
1
3.57
1
6
1
2
1
5
1
380.5
5
1
3.75
1
10
1
2
0
5
1
424.43
5
1
4.08
1
10
1
2
0.0609
3
1
421.07
5
1
4.3
1
10
1
2
0.0921
3
1
418.71
5
1
4.38
1
10
1
2
0.1442
4
1
415.46
5
1
4.33
1
10
1
2
0.1821
4
1
413.48
5
1
4.38
1
10
1
2
0.2753
4
1
409.12
5
1
4.38
1
10
1
2
0.3662
4
1
405.67
5
1
4.32
1
10
1
2
0.5213
4
1
401.32
5
1
4.35
1
10
1
2
0.6485
4
1
398.43
5
1
4.21
1
10
1
2
0.7507
4
1
396.5
5
1
4.21
1
10
1
2
0.8352
4
1
394.76
5
1
4.15
1
10
1
2
0.8785
4
1
393.92
5
1
4.13
1
10
1
2
1
5
1
391.77
5
1
3.99
4
2
1
1
1
Principal objective of the work
AB
TRC
6/27/2017
1
Mole fraction
Chromatography
1
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Pressure, kPa
Liquid
2
Mole fraction
1
Liquid
1
2
1
2
0
5
1
0
5
1
2
1
2
0.0599
3
1
0.2468
4
1
0.0102
1
2
1
2
0.0876
3
1
0.3286
4
1
0.0104
1
2
1
2
0.1403
4
1
0.4554
4
1
0.0108
1
2
1
2
0.1772
4
1
0.5127
4
1
0.0109
1
2
1
2
0.2702
4
1
0.6436
4
1
0.0105
1
2
1
2
0.3594
4
1
0.7283
4
1
0.0103
1
2
1
2
0.5113
4
1
0.8351
4
1
0.0101
1
2
1
2
0.6194
4
1
0.8883
4
1
0.0101
1
2
1
2
0.7321
4
1
0.9251
4
1
0.01
1
2
1
2
0.8258
4
1
0.9546
4
1
0.01
1
2
1
2
0.8732
4
1
0.9679
4
1
0.01
1
2
1
2
1
5
1
1
5
1
6
1
2
0
5
1
0
5
1
6
1
2
0.0595
3
1
0.2304
4
1
0.0102
1
6
1
2
0.0899
3
1
0.3179
4
1
0.0104
1
6
1
2
0.1437
4
1
0.4425
4
1
0.0107
1
6
1
2
0.1793
4
1
0.5024
4
1
0.0109
1
6
1
2
0.2727
4
1
0.6353
4
1
0.0105
1
6
1
2
0.364
4
1
0.7241
4
1
0.0103
1
6
1
2
0.5175
4
1
0.8312
4
1
0.0101
1
6
1
2
0.6476
4
1
0.8825
4
1
0.0101
1
6
1
2
0.7441
4
1
0.9226
4
1
0.01
1
6
1
2
0.834
4
1
0.9563
4
1
0.01
1
6
1
2
0.8774
4
1
0.967
4
1
0.01
1
6
1
2
1
5
1
1
5
1
10
1
2
0
5
1
0
5
1
10
1
2
0.0609
3
1
0.2296
4
1
0.0102
1
10
1
2
0.0921
3
1
0.3112
4
1
0.0104
1
10
1
2
0.1442
4
1
0.4286
4
1
0.0107
1
10
1
2
0.1821
4
1
0.4928
4
1
0.0109
1
10
1
2
0.2753
4
1
0.6246
4
1
0.0106
1
10
1
2
0.3662
4
1
0.7087
4
1
0.0104
1
10
1
2
0.5213
4
1
0.8163
4
1
0.0101
1
10
1
2
0.6485
4
1
0.8814
4
1
0.0101
1
10
1
2
0.7507
4
1
0.9228
4
1
0.01
1
10
1
2
0.8352
4
1
0.9526
4
1
0.01
1
10
1
2
0.8785
4
1
0.9657
4
1
0.01
1
10
1
2
1
5
1
1
5