2
0
2011
gim
tor
0
journal
Original
Gimeno, B.[Beatriz]
Torcal, M.[Marcos]
Mainar, A. M.[Ana M.]
Perez, P.[Pascual]
J. Chem. Eng. Data
2011
2020-09-29
Isothermal Vapor-Liquid Equilibrium of (1-Butanol + 1,8-Cineole) at 10 Temperatures between (278.15 and 323.15) K
Vapor pressures of (1-butanol + 1,8-cineol) at 10 temperatures between (278.15 and 323.15) K were measured by a static method. The reduction of the vapor pressures for obtaining activity coefficients and excess molar Gibbs energies was carried out by fitting the vapor pressure data to the Wilson equation according with Barker's method. Four equations of state (EOS) were used to correlate the vapor-liquid equilibrium (VLE) and for describing the volumetric behavior of the mixture. Two of them are modifications of the temperature-dependent function a(Tr) in the attractive term of Peng-Robinson equation as proposed by Mathias (PRM) and by Stryjek-Vera (PRSV). In both cases a volume translation (VT) according to Peneloux was considered. The other two models applied are based on the theory of perturbations: statistical associating fluid theory (SAFT) and perturbed-chain statistical associating fluid theory (PC-SAFT). The best description of the phase equilibrium was achieved by the Stryjek-Vera modification, whereas SAFT and PC-SAFT provided the best volumetric results.
10.1021/je200011e
5
56
2443-2448
1
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
LRHPLDYGYMQRHN-UHFFFAOYSA-N
butan-1-ol
1-butanol
n-butanol
n-butyl alcohol
C4H10O
1
Commercial source
1
99.8
3
Stated by supplier
2
Molecular sieve treatment
3
99.99
4
Gas chromatography
2
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
WEEGYLXZBRQIMU-UHFFFAOYSA-N
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
1,8-cineole
1,8-epoxy-p-menthane
2-oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
cineol
eucalyptol
p-menthane, 1,8-epoxy-
C10H18O
1
Commercial source
1
99
2
Stated by supplier
2
Molecular sieve treatment
3
99.7
3
Gas chromatography
1
1
1
Principal objective of the work
GPC
TRC
6/10/2011
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
278.15
5
1
0.2
3
1
0.021
1
283.15
5
1
0.306
3
1
0.021
1
288.15
5
1
0.452
3
1
0.022
1
293.15
5
1
0.664
3
1
0.023
1
298.15
5
1
0.939
3
1
0.025
1
303.15
5
1
1.316
4
1
0.028
1
308.15
5
1
1.831
4
1
0.033
1
313.15
5
1
2.526
4
1
0.039
1
318.15
5
1
3.435
4
1
0.047
1
323.15
5
1
4.545
4
1
0.051
2
2
1
Principal objective of the work
GPC
TRC
6/10/2011
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
278.15
5
1
0.071
2
1
0.02
1
283.15
5
1
0.093
2
1
0.02
1
288.15
5
1
0.13
3
1
0.02
1
293.15
5
1
0.178
3
1
0.02
1
298.15
5
1
0.253
3
1
0.02
1
303.15
5
1
0.346
3
1
0.021
1
308.15
5
1
0.477
3
1
0.021
1
313.15
5
1
0.627
3
1
0.022
1
318.15
5
1
0.828
3
1
0.023
1
323.15
5
1
1.101
4
1
0.024
3
1
1
2
1
Principal objective of the work
GPC
TRC
6/10/2011
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
2
Mole fraction
2
Liquid
1
278.15
5
2
0.0771
3
1
0.196
3
1
0.021
1
278.15
5
2
0.1369
4
1
0.195
3
1
0.021
1
278.15
5
2
0.1976
4
1
0.19
3
1
0.021
1
278.15
5
2
0.2736
4
1
0.182
3
1
0.021
1
278.15
5
2
0.3487
4
1
0.181
3
1
0.021
1
278.15
5
2
0.4857
4
1
0.162
3
1
0.021
1
278.15
5
2
0.5995
4
1
0.147
3
1
0.021
1
278.15
5
2
0.6508
4
1
0.146
3
1
0.021
1
278.15
5
2
0.681
4
1
0.142
3
1
0.021
1
278.15
5
2
0.7741
4
1
0.128
3
1
0.021
1
278.15
5
2
0.8852
4
1
0.111
3
1
0.02
1
278.15
5
2
0.9346
4
1
0.095
2
1
0.02
1
283.15
5
2
0.0771
3
1
0.31
3
1
0.022
1
283.15
5
2
0.1369
4
1
0.292
3
1
0.021
1
283.15
5
2
0.1976
4
1
0.296
3
1
0.021
1
283.15
5
2
0.2736
4
1
0.271
3
1
0.021
1
283.15
5
2
0.3487
4
1
0.255
3
1
0.021
1
283.15
5
2
0.4857
4
1
0.24
3
1
0.021
1
283.15
5
2
0.5995
4
1
0.219
3
1
0.021
1
283.15
5
2
0.6508
4
1
0.215
3
1
0.021
1
283.15
5
2
0.681
4
1
0.202
3
1
0.021
1
283.15
5
2
0.7741
4
1
0.182
3
1
0.021
1
283.15
5
2
0.8852
4
1
0.153
3
1
0.021
1
283.15
5
2
0.9346
4
1
0.133
3
1
0.02
1
288.15
5
2
0.0771
3
1
0.442
3
1
0.023
1
288.15
5
2
0.1369
4
1
0.429
3
1
0.023
1
288.15
5
2
0.1976
4
1
0.424
3
1
0.022
1
288.15
5
2
0.2736
4
1
0.388
3
1
0.022
1
288.15
5
2
0.3487
4
1
0.378
3
1
0.022
1
288.15
5
2
0.4857
4
1
0.343
3
1
0.022
1
288.15
5
2
0.5995
4
1
0.352
3
1
0.022
1
288.15
5
2
0.6508
4
1
0.308
3
1
0.021
1
288.15
5
2
0.681
4
1
0.285
3
1
0.021
1
288.15
5
2
0.7741
4
1
0.261
3
1
0.021
1
288.15
5
2
0.8852
4
1
0.222
3
1
0.021
1
288.15
5
2
0.9346
4
1
0.181
3
1
0.021
1
293.15
5
2
0.0771
3
1
0.64
3
1
0.025
1
293.15
5
2
0.1369
4
1
0.635
3
1
0.025
1
293.15
5
2
0.1976
4
1
0.595
3
1
0.024
1
293.15
5
2
0.2736
4
1
0.566
3
1
0.024
1
293.15
5
2
0.3487
4
1
0.554
3
1
0.024
1
293.15
5
2
0.4857
4
1
0.51
3
1
0.023
1
293.15
5
2
0.5995
4
1
0.478
3
1
0.023
1
293.15
5
2
0.6508
4
1
0.441
3
1
0.023
1
293.15
5
2
0.681
4
1
0.428
3
1
0.022
1
293.15
5
2
0.7741
4
1
0.383
3
1
0.022
1
293.15
5
2
0.8852
4
1
0.305
3
1
0.021
1
293.15
5
2
0.9346
4
1
0.249
3
1
0.021
1
298.15
5
2
0.0771
3
1
0.909
3
1
0.028
1
298.15
5
2
0.1369
4
1
0.901
3
1
0.028
1
298.15
5
2
0.1976
4
1
0.843
3
1
0.027
1
298.15
5
2
0.2736
4
1
0.807
3
1
0.027
1
298.15
5
2
0.3487
4
1
0.789
3
1
0.026
1
298.15
5
2
0.4857
4
1
0.718
3
1
0.025
1
298.15
5
2
0.5995
4
1
0.668
3
1
0.025
1
298.15
5
2
0.6508
4
1
0.636
3
1
0.024
1
298.15
5
2
0.6811
4
1
0.597
3
1
0.024
1
298.15
5
2
0.7742
4
1
0.532
3
1
0.023
1
298.15
5
2
0.8852
4
1
0.434
3
1
0.022
1
298.15
5
2
0.9346
4
1
0.359
3
1
0.022
1
303.15
5
2
0.0771
3
1
1.278
4
1
0.033
1
303.15
5
2
0.1369
4
1
1.254
4
1
0.033
1
303.15
5
2
0.1976
4
1
1.185
4
1
0.032
1
303.15
5
2
0.2736
4
1
1.143
4
1
0.031
1
303.15
5
2
0.3487
4
1
1.089
4
1
0.03
1
303.15
5
2
0.4858
4
1
0.997
3
1
0.029
1
303.15
5
2
0.5996
4
1
0.908
3
1
0.027
1
303.15
5
2
0.6509
4
1
0.882
3
1
0.027
1
303.15
5
2
0.6811
4
1
0.84
3
1
0.027
1
303.15
5
2
0.7742
4
1
0.742
3
1
0.026
1
303.15
5
2
0.8852
4
1
0.604
3
1
0.024
1
303.15
5
2
0.9346
4
1
0.48
3
1
0.023
1
308.15
5
2
0.0771
3
1
1.774
4
1
0.036
1
308.15
5
2
0.1369
4
1
1.73
4
1
0.036
1
308.15
5
2
0.1976
4
1
1.654
4
1
0.035
1
308.15
5
2
0.2736
4
1
1.596
4
1
0.034
1
308.15
5
2
0.3487
4
1
1.518
4
1
0.034
1
308.15
5
2
0.4858
4
1
1.377
4
1
0.032
1
308.15
5
2
0.5996
4
1
1.257
4
1
0.032
1
308.15
5
2
0.6509
4
1
1.212
4
1
0.032
1
308.15
5
2
0.6811
4
1
1.164
4
1
0.031
1
308.15
5
2
0.7742
4
1
1.034
4
1
0.029
1
308.15
5
2
0.8853
4
1
0.814
3
1
0.026
1
308.15
5
2
0.9347
4
1
0.68
3
1
0.025
1
313.15
5
2
0.0771
3
1
2.435
4
1
0.042
1
313.15
5
2
0.1369
4
1
2.377
4
1
0.041
1
313.15
5
2
0.1976
4
1
2.277
4
1
0.041
1
313.15
5
2
0.2737
4
1
2.169
4
1
0.039
1
313.15
5
2
0.3488
4
1
2.076
4
1
0.038
1
313.15
5
2
0.4858
4
1
1.894
4
1
0.037
1
313.15
5
2
0.5996
4
1
1.724
4
1
0.035
1
313.15
5
2
0.6509
4
1
1.643
4
1
0.034
1
313.15
5
2
0.6812
4
1
1.58
4
1
0.033
1
313.15
5
2
0.7743
4
1
1.369
4
1
0.032
1
313.15
5
2
0.8853
4
1
1.102
4
1
0.029
1
313.15
5
2
0.9347
4
1
0.915
3
1
0.027
1
318.15
5
2
0.0771
3
1
3.304
4
1
0.05
1
318.15
5
2
0.137
4
1
3.168
4
1
0.048
1
318.15
5
2
0.1977
4
1
3.088
4
1
0.047
1
318.15
5
2
0.2737
4
1
2.935
4
1
0.046
1
318.15
5
2
0.3488
4
1
2.809
4
1
0.044
1
318.15
5
2
0.4859
4
1
2.557
4
1
0.041
1
318.15
5
2
0.5997
4
1
2.33
4
1
0.039
1
318.15
5
2
0.651
4
1
2.215
4
1
0.038
1
318.15
5
2
0.6812
4
1
2.124
4
1
0.038
1
318.15
5
2
0.7743
4
1
1.858
4
1
0.035
1
318.15
5
2
0.8853
4
1
1.44
4
1
0.032
1
318.15
5
2
0.9347
4
1
1.213
4
1
0.031
1
323.15
5
2
0.0771
3
1
4.392
4
1
0.055
1
323.15
5
2
0.137
4
1
4.253
4
1
0.054
1
323.15
5
2
0.1977
4
1
4.082
4
1
0.052
1
323.15
5
2
0.2737
4
1
3.891
4
1
0.05
1
323.15
5
2
0.3488
4
1
3.708
4
1
0.048
1
323.15
5
2
0.486
4
1
3.358
4
1
0.045
1
323.15
5
2
0.5997
4
1
3.06
4
1
0.042
1
323.15
5
2
0.6511
4
1
2.917
4
1
0.041
1
323.15
5
2
0.6813
4
1
2.833
4
1
0.041
1
323.15
5
2
0.7744
4
1
2.453
4
1
0.037
1
323.15
5
2
0.8854
4
1
1.924
4
1
0.033
1
323.15
5
2
0.9348
4
1
1.596
4
1
0.032