2
0
2017
cui
ren
0
journal
Original
Cui, C.[Chao]
Ren, H.[Hui]
Huang, Y.-f.[Yang-fei]
Jiao, Q.-j.[Qing-jie]
J. Chem. Eng. Data
2017
2020-09-29
Solubility Measurement and Correlation for e-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane in Five Organic Solvents at Temperatures between 283.15 and 333.15 K and Different Chloralkane + Ethyl Acetate Binary Solvents at Temperatures between 283.15 and 323.15 K
The solubility data of e-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (e-HNIW) in five pure solvents (ethyl acetate, N,N-dimethylformamide, acetonitrile, cyclohexanone, N-methylpyrrolidone) at temperatures ranging from 283.15 to 333.15 K at atmospheric pressure were measured by the isothermal method; meanwhile, the solubility behavior of e-HNIW in four binary solvents (dichloromethane, chloroform, tetrachloromethane, and 1,2-dichloroethane mixed with various mole fractions of ethyl acetate, respectively) was experimentally studied by the equilibrium method at temperatures ranging from 283.15 to 323.15 K. The experimental data in pure solvents were correlated by the van t Hoff equation and modified Apelblat equation. It was found that both of them could obtain good correlation results according to relative average deviations, root-mean-square deviations, and correlation coefficients (R2). The solubilities of e-HNIW in binary solvents were correlated with the modified Apelblat equation, the combined nearly ideal binary solvent/Redlich Kister (CNIBS/R-K) equation, and the Jouyban Acree model. For the binary solvents studied, all of the models provide a satisfactory correlation.
.epsilon.- 2
4
6
8
10
12-hexanitro-2
4
6
8
10
12-hexaazaisowurtzitane
solubility
pure solvent
chloralkane
binary solvents
temperature
10.1021/acs.jced.6b00664
4
62
1204-1213
1
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
SECXISVLQFMRJM-UHFFFAOYSA-N
N-methylpyrrolidone
1-methyl-2-pyrrolidinone
1-methyl-2-pyrrolidone
1-methyl-5-pyrrolidinone
1-methylazacyclopentan-2-one
1-methylpyrrolidin-2-one
1-methylpyrrolidone
N-methyl-.alpha.-pyrrolidinone
N-methyl-.alpha.-pyrrolidone
N-methyl-.gamma.-butyrolactam
N-methyl-2-pyrrolidinone
N-methyl-2-pyrrolidone
N-methylpyrrolidin-2-one
NMP
C5H9NO
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
2
InChI=1S/C6H6N12O12/c19-13(20)7-1-2-8(14(21)22)5(7)6-9(15(23)24)3(11(1)17(27)28)4(10(6)16(25)26)12(2)18(29)30/h1-6H
NDYLCHGXSQOGMS-UHFFFAOYSA-N
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane
2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0(5,9).0(3,11)]dodecane
C6H6N12O12
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
3
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
JHIVVAPYMSGYDF-UHFFFAOYSA-N
cyclohexanone
C6H10O
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
4
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
ZMXDDKWLCZADIW-UHFFFAOYSA-N
dimethylformamide
DMF
DMFA
N,N-dimethylformamide
N,N-dimethylmethanamide
dimethylformamide (DMF)
C3H7NO
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
5
InChI=1S/C2H3N/c1-2-3/h1H3
WEVYAHXRMPXWCK-UHFFFAOYSA-N
acetonitrile
cyanomethane
ethanenitrile
ethanonitrile
methanecarbonitrile
methyl cyanide
C2H3N
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
6
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
XEKOWRVHYACXOJ-UHFFFAOYSA-N
ethyl acetate
ethyl ethanoate
C4H8O2
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
7
InChI=1S/CH2Cl2/c2-1-3/h1H2
YMWUJEATGCHHMB-UHFFFAOYSA-N
dichloromethane
Freon 30
R-30
methylene chloride
methylene dichloride
CH2Cl2
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
8
InChI=1S/CHCl3/c2-1(3)4/h1H
HEDRZPFGACZZDS-UHFFFAOYSA-N
trichloromethane
R-20
chloroform
freon 20
CHCl3
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
9
InChI=1S/CCl4/c2-1(3,4)5
VZGDMQKNWNREIO-UHFFFAOYSA-N
tetrachloromethane
Freon 10
R-10
carbon tetrachloride
CCl4
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
10
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
WSLDOOZREJYCGB-UHFFFAOYSA-N
1,2-dichloroethane
1,2-ethylene dichloride
Freon 150
R-150
C2H4Cl2
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
11
InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2
UZGLIIJVICEWHF-UHFFFAOYSA-N
cyclotetramethylene tetranitramine
HMX
HMX (cyclotetramethylene tetranitramine)
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
octogen
C4H8N8O8
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
12
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
CSCPPACGZOOCGX-UHFFFAOYSA-N
acetone
2-propanone
dimethyl ketone
propan-2-one
propanone
pyroacetic ether
C3H6O
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
13
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.5
3
Estimated by the compiler
2
None used
1
1
1
2
1
Principal objective of the work
EP
EP
3/13/2017
1
Mole fraction
Titration method
2
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
283.15
5
1
0.20874
5
1
0.02088
1
288.15
5
1
0.20748
5
1
0.02075
1
293.15
5
1
0.20632
5
1
0.02064
1
298.15
5
1
0.20585
5
1
0.02059
1
303.15
5
1
0.20506
5
1
0.02051
1
308.15
5
1
0.20416
5
1
0.02042
1
313.15
5
1
0.20344
5
1
0.02035
1
318.15
5
1
0.20221
5
1
0.02023
1
323.15
5
1
0.20156
5
1
0.02016
1
328.15
5
1
0.20076
5
1
0.02008
1
333.15
5
1
0.20013
5
1
0.02002
2
3
1
2
1
Principal objective of the work
EP
EP
2/2/2018
1
Mole fraction
Titration method
2
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
283.15
5
1
0.15862
5
1
0.01587
1
288.15
5
1
0.159
5
1
0.0159
1
293.15
5
1
0.1594
5
1
0.01594
1
298.15
5
1
0.15991
5
1
0.01599
1
303.15
5
1
0.16031
5
1
0.01603
1
308.15
5
1
0.16055
5
1
0.01606
1
313.15
5
1
0.16079
5
1
0.01608
1
318.15
5
1
0.16094
5
1
0.0161
1
323.15
5
1
0.16125
5
1
0.01613
1
328.15
5
1
0.16163
5
1
0.01617
1
333.15
5
1
0.16201
5
1
0.0162
3
4
1
2
1
Principal objective of the work
EP
EP
2/10/2017
1
Mole fraction
Titration method
2
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
283.15
5
1
0.09161
4
1
0.00916
1
288.15
5
1
0.09365
4
1
0.00937
1
293.15
5
1
0.09742
4
1
0.00975
1
298.15
5
1
0.10188
5
1
0.01019
1
303.15
5
1
0.10441
5
1
0.01044
1
308.15
5
1
0.10644
5
1
0.01065
1
313.15
5
1
0.10895
5
1
0.0109
1
318.15
5
1
0.11093
5
1
0.0111
1
323.15
5
1
0.11297
5
1
0.0113
1
328.15
5
1
0.11623
5
1
0.01163
1
333.15
5
1
0.11965
5
1
0.01197
4
5
1
2
1
Principal objective of the work
EP
EP
2/10/2017
1
Mole fraction
Titration method
2
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
283.15
5
1
0.04328
4
1
0.00433
1
288.15
5
1
0.04696
4
1
0.0047
1
293.15
5
1
0.04981
4
1
0.00498
1
298.15
5
1
0.05294
4
1
0.0053
1
303.15
5
1
0.05593
4
1
0.0056
1
308.15
5
1
0.0579
4
1
0.00579
1
313.15
5
1
0.06073
4
1
0.00608
1
318.15
5
1
0.06411
4
1
0.00641
1
323.15
5
1
0.06842
4
1
0.00685
1
328.15
5
1
0.0722
4
1
0.00722
1
333.15
5
1
0.07575
4
1
0.00758
5
6
1
2
1
Principal objective of the work
EP
EP
3/13/2017
1
Mole fraction
Titration method
2
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
283.15
5
1
0.09928
4
1
0.00993
1
288.15
5
1
0.09901
4
1
0.0099
1
293.15
5
1
0.09885
4
1
0.00989
1
298.15
5
1
0.09851
4
1
0.00985
1
303.15
5
1
0.09812
4
1
0.00981
1
308.15
5
1
0.09771
4
1
0.00977
1
313.15
5
1
0.09751
4
1
0.00975
1
318.15
5
1
0.09713
4
1
0.00972
1
323.15
5
1
0.09693
4
1
0.0097
1
328.15
5
1
0.09663
4
1
0.00967
1
333.15
5
1
0.09641
4
1
0.00964
6
7
1
6
1
2
1
Principal objective of the work
ZDB
XXX
2/7/2017
1
Mole fraction
Titration method
2
Liquid
Direct value, X
7
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
2
Solvent: Mole fraction
7
Liquid
1
283.15
5
2
0
3
1
0.09928
5
1
0.00993
1
283.15
5
2
0.14
2
1
0.07156
5
1
0.007163
1
283.15
5
2
0.28
2
1
0.049854
5
1
0.005005
1
283.15
5
2
0.4
2
1
0.031705
5
1
0.003225
1
283.15
5
2
0.5
2
1
0.017575
5
1
0.001844
1
283.15
5
2
0.6
2
1
0.009615
4
1
0.000999
1
283.15
5
2
0.7
2
1
0.004214
4
1
0.000443
1
283.15
5
2
0.78
2
1
0.001439
4
1
0.000153
1
283.15
5
2
0.86
2
1
0.000441
3
1
4.8e-05
1
288.15
5
2
0
3
1
0.099009
5
1
0.009903
1
288.15
5
2
0.14
2
1
0.070696
5
1
0.007076
1
288.15
5
2
0.28
2
1
0.048661
5
1
0.004886
1
288.15
5
2
0.4
2
1
0.031505
5
1
0.003202
1
288.15
5
2
0.5
2
1
0.01754
5
1
0.001838
1
288.15
5
2
0.6
2
1
0.00964
4
1
0.000998
1
288.15
5
2
0.7
2
1
0.004704
4
1
0.000489
1
288.15
5
2
0.78
2
1
0.001741
4
1
0.000184
1
288.15
5
2
0.86
2
1
0.000534
3
1
5.8e-05
1
293.15
5
2
0
3
1
0.098848
5
1
0.009887
1
293.15
5
2
0.14
2
1
0.07056
5
1
0.007062
1
293.15
5
2
0.28
2
1
0.047789
5
1
0.004799
1
293.15
5
2
0.4
2
1
0.030611
5
1
0.003109
1
293.15
5
2
0.5
2
1
0.018105
5
1
0.001885
1
293.15
5
2
0.6
2
1
0.009702
4
1
0.001007
1
293.15
5
2
0.7
2
1
0.004765
4
1
0.000494
1
293.15
5
2
0.78
2
1
0.002089
4
1
0.000217
1
293.15
5
2
0.86
2
1
0.00068
3
1
7.3e-05
1
298.15
5
2
0
3
1
0.098509
5
1
0.009853
1
298.15
5
2
0.14
2
1
0.071013
5
1
0.007107
1
298.15
5
2
0.28
2
1
0.04869
5
1
0.004889
1
298.15
5
2
0.4
2
1
0.031146
5
1
0.003162
1
298.15
5
2
0.5
2
1
0.019031
5
1
0.001974
1
298.15
5
2
0.6
2
1
0.010356
5
1
0.001073
1
298.15
5
2
0.7
2
1
0.005064
4
1
0.000525
1
298.15
5
2
0.78
2
1
0.002243
4
1
0.000232
1
298.15
5
2
0.86
2
1
0.000729
3
1
7.8e-05
1
303.15
5
2
0
3
1
0.098122
5
1
0.009814
1
303.15
5
2
0.14
2
1
0.071632
5
1
0.007169
1
303.15
5
2
0.28
2
1
0.049225
5
1
0.004943
1
303.15
5
2
0.4
2
1
0.03159
5
1
0.003205
1
303.15
5
2
0.5
2
1
0.020142
5
1
0.002079
1
303.15
5
2
0.6
2
1
0.011232
5
1
0.001164
1
303.15
5
2
0.7
2
1
0.00541
4
1
0.000562
1
303.15
5
2
0.78
2
1
0.00244
4
1
0.000254
1
303.15
5
2
0.86
2
1
0.000753
3
1
8.1e-05
7
8
1
6
1
2
1
Principal objective of the work
ZDB
XXX
2/7/2017
1
Mole fraction
Titration method
2
Liquid
Direct value, X
8
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
2
Solvent: Mole fraction
8
Liquid
1
283.15
5
2
0
3
1
0.09928
5
1
0.00993
1
283.15
5
2
0.12
2
1
0.07096
5
1
0.007103
1
283.15
5
2
0.23
2
1
0.049257
5
1
0.004948
1
283.15
5
2
0.34
2
1
0.02743
5
1
0.002795
1
283.15
5
2
0.45
2
1
0.014944
5
1
0.001562
1
283.15
5
2
0.55
2
1
0.006515
4
1
0.000714
1
283.15
5
2
0.65
2
1
0.002197
4
1
0.000247
1
283.15
5
2
0.74
2
1
0.000613
3
1
7e-05
1
283.15
5
2
0.83
2
1
0.000125
3
1
1.6e-05
1
288.15
5
2
0
3
1
0.099009
5
1
0.009903
1
288.15
5
2
0.12
2
1
0.070882
5
1
0.007095
1
288.15
5
2
0.23
2
1
0.047948
5
1
0.004816
1
288.15
5
2
0.34
2
1
0.029222
5
1
0.002969
1
288.15
5
2
0.45
2
1
0.014139
5
1
0.001496
1
288.15
5
2
0.55
2
1
0.006625
4
1
0.000714
1
288.15
5
2
0.65
2
1
0.002372
4
1
0.000262
1
288.15
5
2
0.74
2
1
0.000622
3
1
7e-05
1
288.15
5
2
0.83
2
1
0.000131
3
1
1.6e-05
1
293.15
5
2
0
3
1
0.098848
5
1
0.009887
1
293.15
5
2
0.12
2
1
0.07083
5
1
0.00709
1
293.15
5
2
0.23
2
1
0.04758
5
1
0.004779
1
293.15
5
2
0.34
2
1
0.029049
5
1
0.002949
1
293.15
5
2
0.45
2
1
0.015056
5
1
0.001583
1
293.15
5
2
0.55
2
1
0.006362
4
1
0.000697
1
293.15
5
2
0.65
2
1
0.002425
4
1
0.000265
1
293.15
5
2
0.74
2
1
0.00068
3
1
7.6e-05
1
293.15
5
2
0.83
2
1
0.000142
3
1
1.7e-05
1
298.15
5
2
0
3
1
0.098509
5
1
0.009853
1
298.15
5
2
0.12
2
1
0.070883
5
1
0.007095
1
298.15
5
2
0.23
2
1
0.047676
5
1
0.004789
1
298.15
5
2
0.34
2
1
0.028949
5
1
0.00294
1
298.15
5
2
0.45
2
1
0.014631
5
1
0.001542
1
298.15
5
2
0.55
2
1
0.006418
4
1
0.000698
1
298.15
5
2
0.65
2
1
0.002447
4
1
0.000267
1
298.15
5
2
0.74
2
1
0.000731
3
1
8e-05
1
298.15
5
2
0.83
2
1
0.000163
3
1
2e-05
1
303.15
5
2
0
3
1
0.098122
5
1
0.009814
1
303.15
5
2
0.12
2
1
0.070925
5
1
0.007099
1
303.15
5
2
0.23
2
1
0.047669
5
1
0.004787
1
303.15
5
2
0.34
2
1
0.029883
5
1
0.003032
1
303.15
5
2
0.45
2
1
0.014801
5
1
0.001563
1
303.15
5
2
0.55
2
1
0.006661
4
1
0.000722
1
303.15
5
2
0.65
2
1
0.002487
4
1
0.000272
1
303.15
5
2
0.74
2
1
0.000777
3
1
8.5e-05
1
303.15
5
2
0.83
2
1
0.000167
3
1
2e-05
1
308.15
5
2
0
3
1
0.097714
5
1
0.009774
1
308.15
5
2
0.12
2
1
0.070883
5
1
0.007095
1
308.15
5
2
0.23
2
1
0.047819
5
1
0.004802
1
308.15
5
2
0.34
2
1
0.029799
5
1
0.003023
1
308.15
5
2
0.45
2
1
0.015295
5
1
0.001608
1
308.15
5
2
0.55
2
1
0.006933
4
1
0.00075
1
308.15
5
2
0.65
2
1
0.002683
4
1
0.000292
1
308.15
5
2
0.74
2
1
0.000823
3
1
9e-05
1
308.15
5
2
0.83
2
1
0.000203
3
1
2.4e-05
1
313.15
5
2
0
3
1
0.097514
5
1
0.009754
1
313.15
5
2
0.12
2
1
0.070944
5
1
0.007101
1
313.15
5
2
0.23
2
1
0.048103
5
1
0.004831
1
313.15
5
2
0.34
2
1
0.029693
5
1
0.003011
1
313.15
5
2
0.45
2
1
0.016099
5
1
0.001678
1
313.15
5
2
0.55
2
1
0.007844
4
1
0.000838
1
313.15
5
2
0.65
2
1
0.003133
4
1
0.000339
1
313.15
5
2
0.74
2
1
0.000924
3
1
0.000102
1
313.15
5
2
0.83
2
1
0.000217
3
1
2.5e-05
1
318.15
5
2
0
3
1
0.097129
5
1
0.009715
1
318.15
5
2
0.12
2
1
0.070959
5
1
0.007102
1
318.15
5
2
0.23
2
1
0.048362
5
1
0.004856
1
318.15
5
2
0.34
2
1
0.030089
5
1
0.003049
1
318.15
5
2
0.45
2
1
0.017038
5
1
0.001768
1
318.15
5
2
0.55
2
1
0.008308
4
1
0.000886
1
318.15
5
2
0.65
2
1
0.003435
4
1
0.00037
1
318.15
5
2
0.74
2
1
0.001033
4
1
0.000113
1
318.15
5
2
0.83
2
1
0.000258
3
1
3e-05
1
323.15
5
2
0
3
1
0.09693
5
1
0.009695
1
323.15
5
2
0.12
2
1
0.070978
5
1
0.007104
1
323.15
5
2
0.23
2
1
0.049349
5
1
0.004953
1
323.15
5
2
0.34
2
1
0.033595
5
1
0.003399
1
323.15
5
2
0.45
2
1
0.01762
5
1
0.001843
1
323.15
5
2
0.55
2
1
0.009089
4
1
0.000963
1
323.15
5
2
0.65
2
1
0.003871
4
1
0.000416
1
323.15
5
2
0.74
2
1
0.001191
4
1
0.000133
1
323.15
5
2
0.83
2
1
0.000315
3
1
3.6e-05
8
9
1
6
1
2
1
Principal objective of the work
ZDB
XXX
2/7/2017
1
Mole fraction
Titration method
2
Liquid
Direct value, X
9
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
2
Solvent: Mole fraction
9
Liquid
1
283.15
5
2
0
3
1
0.09928
5
1
0.00993
1
283.15
5
2
0.1
2
1
0.085315
5
1
0.008535
1
283.15
5
2
0.2
2
1
0.067993
5
1
0.006809
1
283.15
5
2
0.3
2
1
0.052567
5
1
0.005277
1
283.15
5
2
0.4
2
1
0.038028
5
1
0.003843
1
283.15
5
2
0.5
2
1
0.025413
5
1
0.002611
1
283.15
5
2
0.6
2
1
0.014167
5
1
0.001469
1
283.15
5
2
0.7
2
1
0.006053
4
1
0.000636
1
283.15
5
2
0.8
2
1
0.001372
4
1
0.000166
1
288.15
5
2
0
3
1
0.099009
5
1
0.009903
1
288.15
5
2
0.1
2
1
0.085149
5
1
0.008519
1
288.15
5
2
0.2
2
1
0.066524
5
1
0.006662
1
288.15
5
2
0.3
2
1
0.051767
5
1
0.005196
1
288.15
5
2
0.4
2
1
0.037373
5
1
0.003775
1
288.15
5
2
0.5
2
1
0.025592
5
1
0.002624
1
288.15
5
2
0.6
2
1
0.014383
5
1
0.00149
1
288.15
5
2
0.7
2
1
0.00624
4
1
0.000654
1
288.15
5
2
0.8
2
1
0.001451
4
1
0.000174
1
293.15
5
2
0
3
1
0.098848
5
1
0.009887
1
293.15
5
2
0.1
2
1
0.082836
5
1
0.008287
1
293.15
5
2
0.2
2
1
0.067025
5
1
0.006711
1
293.15
5
2
0.3
2
1
0.051315
5
1
0.005152
1
293.15
5
2
0.4
2
1
0.03734
5
1
0.003772
1
293.15
5
2
0.5
2
1
0.024891
5
1
0.002555
1
293.15
5
2
0.6
2
1
0.014328
5
1
0.00148
1
293.15
5
2
0.7
2
1
0.006358
4
1
0.000664
1
293.15
5
2
0.8
2
1
0.001541
4
1
0.000182
1
298.15
5
2
0
3
1
0.098509
5
1
0.009853
1
298.15
5
2
0.1
2
1
0.081888
5
1
0.008192
1
298.15
5
2
0.2
2
1
0.066549
5
1
0.006664
1
298.15
5
2
0.3
2
1
0.051156
5
1
0.005136
1
298.15
5
2
0.4
2
1
0.037056
5
1
0.003743
1
298.15
5
2
0.5
2
1
0.024952
5
1
0.002559
1
298.15
5
2
0.6
2
1
0.014463
5
1
0.001493
1
298.15
5
2
0.7
2
1
0.006503
4
1
0.000678
1
298.15
5
2
0.8
2
1
0.001687
4
1
0.000195
1
303.15
5
2
0
3
1
0.098122
5
1
0.009814
1
303.15
5
2
0.1
2
1
0.08064
5
1
0.008067
1
303.15
5
2
0.2
2
1
0.066062
5
1
0.006615
1
303.15
5
2
0.3
2
1
0.0486
5
1
0.004882
1
303.15
5
2
0.4
2
1
0.036485
5
1
0.00368
1
303.15
5
2
0.5
2
1
0.024814
5
1
0.00254
1
303.15
5
2
0.6
2
1
0.014902
5
1
0.001534
1
303.15
5
2
0.7
2
1
0.006646
4
1
0.000693
1
303.15
5
2
0.8
2
1
0.001769
4
1
0.000202
1
308.15
5
2
0
3
1
0.097714
5
1
0.009774
1
308.15
5
2
0.1
2
1
0.080134
5
1
0.008017
1
308.15
5
2
0.2
2
1
0.066129
5
1
0.006622
1
308.15
5
2
0.3
2
1
0.048579
5
1
0.004879
1
308.15
5
2
0.4
2
1
0.036375
5
1
0.003668
1
308.15
5
2
0.5
2
1
0.025398
5
1
0.002596
1
308.15
5
2
0.6
2
1
0.014922
5
1
0.00154
1
308.15
5
2
0.7
2
1
0.00646
4
1
0.000675
1
308.15
5
2
0.8
2
1
0.00182
4
1
0.000205
1
313.15
5
2
0
3
1
0.097514
5
1
0.009754
1
313.15
5
2
0.1
2
1
0.080192
5
1
0.008023
1
313.15
5
2
0.2
2
1
0.065729
5
1
0.006582
1
313.15
5
2
0.3
2
1
0.048232
5
1
0.004844
1
313.15
5
2
0.4
2
1
0.036705
5
1
0.003701
1
313.15
5
2
0.5
2
1
0.024984
5
1
0.002557
1
313.15
5
2
0.6
2
1
0.015024
5
1
0.001545
1
313.15
5
2
0.7
2
1
0.006957
4
1
0.000724
1
313.15
5
2
0.8
2
1
0.001793
4
1
0.000207
1
318.15
5
2
0
3
1
0.097129
5
1
0.009715
1
318.15
5
2
0.1
2
1
0.081866
5
1
0.00819
1
318.15
5
2
0.2
2
1
0.064998
5
1
0.00651
1
318.15
5
2
0.3
2
1
0.049071
5
1
0.004926
1
318.15
5
2
0.4
2
1
0.037293
5
1
0.003759
1
318.15
5
2
0.5
2
1
0.026026
5
1
0.002662
1
318.15
5
2
0.6
2
1
0.014978
5
1
0.001546
1
318.15
5
2
0.7
2
1
0.00694
4
1
0.000721
1
318.15
5
2
0.8
2
1
0.001865
4
1
0.000212
1
323.15
5
2
0
3
1
0.09693
5
1
0.009695
1
323.15
5
2
0.1
2
1
0.08291
5
1
0.008294
1
323.15
5
2
0.2
2
1
0.066029
5
1
0.006612
1
323.15
5
2
0.3
2
1
0.051159
5
1
0.005136
1
323.15
5
2
0.4
2
1
0.037756
5
1
0.00381
1
323.15
5
2
0.5
2
1
0.026144
5
1
0.002673
1
323.15
5
2
0.6
2
1
0.015539
5
1
0.001601
1
323.15
5
2
0.7
2
1
0.007172
4
1
0.000748
1
323.15
5
2
0.8
2
1
0.001924
4
1
0.000219
9
10
1
6
1
2
1
Principal objective of the work
ZDB
XXX
2/7/2017
1
Mole fraction
Titration method
2
Liquid
Direct value, X
10
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
2
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
2
Solvent: Mole fraction
10
Liquid
1
283.15
5
2
0
3
1
0.09928
5
1
0.00993
1
283.15
5
2
0.12
2
1
0.077944
5
1
0.007799
1
283.15
5
2
0.24
2
1
0.059665
5
1
0.005978
1
283.15
5
2
0.35
2
1
0.045008
5
1
0.004526
1
283.15
5
2
0.45
2
1
0.033006
5
1
0.003349
1
283.15
5
2
0.55
2
1
0.021732
5
1
0.002232
1
283.15
5
2
0.65
2
1
0.011577
5
1
0.001207
1
283.15
5
2
0.74
2
1
0.004571
4
1
0.000488
1
283.15
5
2
0.83
2
1
0.001067
4
1
0.000126
1
288.15
5
2
0
3
1
0.099009
5
1
0.009903
1
288.15
5
2
0.12
2
1
0.077066
5
1
0.007711
1
288.15
5
2
0.24
2
1
0.058493
5
1
0.005862
1
288.15
5
2
0.35
2
1
0.041969
5
1
0.004229
1
288.15
5
2
0.45
2
1
0.028263
5
1
0.002879
1
288.15
5
2
0.55
2
1
0.018172
5
1
0.001869
1
288.15
5
2
0.65
2
1
0.009229
4
1
0.000963
1
288.15
5
2
0.74
2
1
0.003721
4
1
0.000393
1
288.15
5
2
0.83
2
1
0.000806
3
1
9.7e-05
1
293.15
5
2
0
3
1
0.098848
5
1
0.009887
1
293.15
5
2
0.12
2
1
0.077047
5
1
0.007709
1
293.15
5
2
0.24
2
1
0.058131
5
1
0.005826
1
293.15
5
2
0.35
2
1
0.041555
5
1
0.004187
1
293.15
5
2
0.45
2
1
0.027662
5
1
0.002819
1
293.15
5
2
0.55
2
1
0.017504
5
1
0.001802
1
293.15
5
2
0.65
2
1
0.00878
4
1
0.000919
1
293.15
5
2
0.74
2
1
0.002839
4
1
0.000307
1
293.15
5
2
0.83
2
1
0.000703
3
1
8.1e-05
1
298.15
5
2
0
3
1
0.098509
5
1
0.009853
1
298.15
5
2
0.12
2
1
0.075756
5
1
0.00758
1
298.15
5
2
0.24
2
1
0.057294
5
1
0.005742
1
298.15
5
2
0.35
2
1
0.040938
5
1
0.004124
1
298.15
5
2
0.45
2
1
0.027672
5
1
0.002822
1
298.15
5
2
0.55
2
1
0.016539
5
1
0.001712
1
298.15
5
2
0.65
2
1
0.008166
4
1
0.000855
1
298.15
5
2
0.74
2
1
0.002867
4
1
0.000307
1
298.15
5
2
0.83
2
1
0.000618
3
1
7.5e-05
1
303.15
5
2
0
3
1
0.098122
5
1
0.009814
1
303.15
5
2
0.12
2
1
0.074942
5
1
0.007499
1
303.15
5
2
0.24
2
1
0.056987
5
1
0.005711
1
303.15
5
2
0.35
2
1
0.040745
5
1
0.004104
1
303.15
5
2
0.45
2
1
0.027855
5
1
0.002841
1
303.15
5
2
0.55
2
1
0.01612
5
1
0.001675
1
303.15
5
2
0.65
2
1
0.007715
4
1
0.000811
1
303.15
5
2
0.74
2
1
0.00266
4
1
0.000285
1
303.15
5
2
0.83
2
1
0.000633
3
1
7.4e-05
1
308.15
5
2
0
3
1
0.097714
5
1
0.009774
1
308.15
5
2
0.12
2
1
0.075629
5
1
0.007567
1
308.15
5
2
0.24
2
1
0.057802
5
1
0.005793
1
308.15
5
2
0.35
2
1
0.041348
5
1
0.004166
1
308.15
5
2
0.45
2
1
0.027943
5
1
0.002849
1
308.15
5
2
0.55
2
1
0.016707
5
1
0.001728
1
308.15
5
2
0.65
2
1
0.008479
4
1
0.000885
1
308.15
5
2
0.74
2
1
0.003122
4
1
0.000333
1
308.15
5
2
0.83
2
1
0.000707
3
1
8.4e-05
1
313.15
5
2
0
3
1
0.097514
5
1
0.009754
1
313.15
5
2
0.12
2
1
0.075959
5
1
0.0076
1
313.15
5
2
0.24
2
1
0.058635
5
1
0.005876
1
313.15
5
2
0.35
2
1
0.042043
5
1
0.004236
1
313.15
5
2
0.45
2
1
0.028373
5
1
0.002892
1
313.15
5
2
0.55
2
1
0.017391
5
1
0.001794
1
313.15
5
2
0.65
2
1
0.009116
4
1
0.000947
1
313.15
5
2
0.74
2
1
0.003745
4
1
0.000394
1
313.15
5
2
0.83
2
1
0.000831
3
1
9.9e-05
1
318.15
5
2
0
3
1
0.097129
5
1
0.009715
1
318.15
5
2
0.12
2
1
0.076534
5
1
0.007657
1
318.15
5
2
0.24
2
1
0.05984
5
1
0.005996
1
318.15
5
2
0.35
2
1
0.043057
5
1
0.004336
1
318.15
5
2
0.45
2
1
0.029992
5
1
0.003051
1
318.15
5
2
0.55
2
1
0.019493
5
1
0.002
1
318.15
5
2
0.65
2
1
0.010927
5
1
0.001131
1
318.15
5
2
0.74
2
1
0.004477
4
1
0.000471
1
318.15
5
2
0.83
2
1
0.00119
4
1
0.000135
1
323.15
5
2
0
3
1
0.09693
5
1
0.009695
1
323.15
5
2
0.12
2
1
0.077456
5
1
0.00775
1
323.15
5
2
0.24
2
1
0.061489
5
1
0.00616
1
323.15
5
2
0.35
2
1
0.045435
5
1
0.004567
1
323.15
5
2
0.45
2
1
0.036772
5
1
0.003717
1
323.15
5
2
0.55
2
1
0.023531
5
1
0.002419
1
323.15
5
2
0.65
2
1
0.013835
5
1
0.001427
1
323.15
5
2
0.74
2
1
0.00591
4
1
0.000626
1
323.15
5
2
0.83
2
1
0.001594
4
1
0.00018
10
1
1
11
1
Principal objective of the work
EP
EP
3/13/2017
1
Mole fraction
Titration method
11
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
1
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
273
4
1
0.022741
5
1
0.002288
1
288
4
1
0.040962
5
1
0.004105
1
303
4
1
0.060014
5
1
0.006007
1
318
4
1
0.073385
5
1
0.007345
1
333
4
1
0.098414
5
1
0.009848
1
348
4
1
0.119565
6
1
0.011963
11
12
1
11
1
13
1
Principal objective of the work
EP
EP
3/13/2017
1
Mole fraction
Titration method
11
Liquid
Direct value, X
12
13
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
11
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
2
Solvent: Mole fraction
13
Liquid
1
293.15
5
2
0
1
1
0.0045283
5
1
0.0004531
1
293.15
5
2
0.1381
4
1
0.0042016
5
1
0.0004212
1
293.15
5
2
0.2871
4
1
0.0027977
5
1
0.000281
1
293.15
5
2
0.4462
4
1
0.0015938
5
1
0.0001629
1
293.15
5
2
0.5707
4
1
0.0007134
4
1
7.56e-05
1
293.15
5
2
0.6682
4
1
0.0003248
4
1
3.42e-05
1
293.15
5
2
0.7632
4
1
9.58e-05
3
1
1.02e-05
1
293.15
5
2
0.8754
4
1
1.3e-05
3
1
1.6e-06
1
298.15
5
2
0
1
1
0.0048426
5
1
0.0004845
1
298.15
5
2
0.1381
4
1
0.004539
5
1
0.0004541
1
298.15
5
2
0.2871
4
1
0.003117
5
1
0.0003132
1
298.15
5
2
0.4462
4
1
0.0017805
5
1
0.0001818
1
298.15
5
2
0.5707
4
1
0.0008618
4
1
9.09e-05
1
298.15
5
2
0.6682
4
1
0.0003921
4
1
4.15e-05
1
298.15
5
2
0.7632
4
1
0.0001361
4
1
1.48e-05
1
298.15
5
2
0.8754
4
1
2.14e-05
3
1
2.5e-06
12
12
1
11
1
Principal objective of the work
EP
EP
3/13/2017
1
Mole fraction
Titration method
11
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Crystal
11
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
293.15
5
1
0.0045283
5
1
0.0004531
1
298.15
5
1
0.0048426
5
1
0.0004845