2
0
2017
lv
wan
0
journal
Original
Lv, P.[Penghao]
Wang, H.[HuiYun]
Tong, Y.[Yao]
Dang, L.[Leping]
Sun, C.[Chenghui]
Pang, S.-P.[Si-Ping]
J. Chem. Eng. Data
2017
2020-09-29
Measurement and Correlation of the Solubility of e-CL-20 in 12 Organic Solvents at Temperatures Ranging from 278.15 to 318.15 K
The solubility of e-CL-20 was assessed in 12 organic solvents by the equilibrium method at temperatures ranging from 278.15 to 318.15 K and 0.1 MPa. The order of the solubility of e-CL-20 was ethyl acetate greater than butyl acetate greater than triethyl-orthoformate greater than methanol greater than ethanol greater than propanol greater than 1-butanol greater than isopropyl alcohol greater than m-xylene greater than chloroform greater than toluene greater than cyclohexane. The modified Apelblat equation was used to correlate the experimental solubility values at these temperatures in these solvents and the results showed good agreement with the experimental values.
10.1021/acs.jced.6b00761
3
62
961-966
1
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
99.8
3
HPLC
2
InChI=1S/CH4O/c1-2/h2H,1H3
OKKJLVBELUTLKV-UHFFFAOYSA-N
methanol
methyl alcohol
CH4O
1
Commercial source
1
99.5
3
Stated by supplier
3
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ethanol
ethyl alcohol
C2H6O
1
Commercial source
1
99.5
3
Stated by supplier
4
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
BDERNNFJNOPAEC-UHFFFAOYSA-N
propan-1-ol
1-propanol
n-propanol
n-propyl alcohol
C3H8O
1
Commercial source
1
99.5
3
Stated by supplier
5
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
KFZMGEQAYNKOFK-UHFFFAOYSA-N
propan-2-ol
2-propanol
isopropanol
isopropyl alcohol
sec-propyl alcohol
C3H8O
1
Commercial source
1
99.5
3
Stated by supplier
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
7
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
YXFVVABEGXRONW-UHFFFAOYSA-N
toluene
methylbenzene
C7H8
1
Commercial source
1
99.5
3
Stated by supplier
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
9
InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
GKASDNZWUGIAMG-UHFFFAOYSA-N
ethyl orthomethanoate
4-ethoxy-3,5-dioxaheptane
ethyl orthoformate
orthoformic acid, triethyl ester
orthomethanoic acid, triethyl ester
triethoxy methane
triethoxymethane
triethyl orthoformate
triethyl orthomethanoate
C7H16O3
1
Commercial source
1
99.5
3
Stated by supplier
10
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
IVSZLXZYQVIEFR-UHFFFAOYSA-N
1,3-dimethylbenzene
1,3-xylene
m-xylene
meta-xylene
C8H10
1
Commercial source
1
99.5
3
Stated by supplier
11
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
99.5
3
Stated by supplier
12
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
DKPFZGUDAPQIHT-UHFFFAOYSA-N
butyl ethanoate
acetic acid, butyl ester
butyl acetate
ethanoic acid, butyl ester
n-butyl acetate
C6H12O2
1
Commercial source
1
99.5
3
Stated by supplier
13
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
XDTMQSROBMDMFD-UHFFFAOYSA-N
cyclohexane
C6H12
1
Commercial source
1
99.5
3
Stated by supplier
1
2
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
0.0015795
5
1
0.0001106
1
283.15
5
1
0.0016415
5
1
0.000115
1
288.15
5
1
0.0017271
5
1
0.000121
1
293.15
5
1
0.0018205
5
1
0.0001275
1
298.15
5
1
0.0019264
5
1
0.0001349
1
303.15
5
1
0.0020159
5
1
0.0001412
1
308.15
5
1
0.0021586
5
1
0.0001512
1
313.15
5
1
0.0022962
5
1
0.0001608
1
318.15
5
1
0.0024377
5
1
0.0001707
2
3
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
0.0005382
4
1
3.77e-05
1
283.15
5
1
0.0005607
4
1
3.93e-05
1
288.15
5
1
0.0005924
4
1
4.15e-05
1
293.15
5
1
0.0006245
4
1
4.37e-05
1
298.15
5
1
0.0006593
4
1
4.62e-05
1
303.15
5
1
0.0007068
4
1
4.95e-05
1
308.15
5
1
0.0007516
4
1
5.26e-05
1
313.15
5
1
0.0008146
4
1
5.7e-05
1
318.15
5
1
0.0008993
4
1
6.3e-05
3
4
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
0.0001698
4
1
1.19e-05
1
283.15
5
1
0.0001884
4
1
1.32e-05
1
288.15
5
1
0.0002089
4
1
1.46e-05
1
293.15
5
1
0.0002381
4
1
1.67e-05
1
298.15
5
1
0.0002723
4
1
1.91e-05
1
303.15
5
1
0.0003055
4
1
2.14e-05
1
308.15
5
1
0.0003478
4
1
2.44e-05
1
313.15
5
1
0.0003963
4
1
2.78e-05
1
318.15
5
1
0.0004495
4
1
3.15e-05
4
5
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
0.0001137
4
1
5.9e-06
1
283.15
5
1
0.0001285
4
1
6.5e-06
1
288.15
5
1
0.0001532
4
1
7.2e-06
1
293.15
5
1
0.0001807
4
1
8.3e-06
1
298.15
5
1
0.0002083
4
1
1.01e-05
1
303.15
5
1
0.0002529
4
1
1.2e-05
1
308.15
5
1
0.0002946
4
1
1.44e-05
1
313.15
5
1
0.0003486
4
1
1.73e-05
1
318.15
5
1
0.000424
4
1
2.13e-05
5
11
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
0.0001351
4
1
9.5e-06
1
283.15
5
1
0.0001506
4
1
1.05e-05
1
288.15
5
1
0.0001725
4
1
1.21e-05
1
293.15
5
1
0.0002
4
1
1.4e-05
1
298.15
5
1
0.0002353
4
1
1.65e-05
1
303.15
5
1
0.0002711
4
1
1.9e-05
1
308.15
5
1
0.0003127
4
1
2.19e-05
1
313.15
5
1
0.0003624
4
1
2.54e-05
1
318.15
5
1
0.0004314
4
1
3.02e-05
6
8
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
4.35e-05
3
1
3e-06
1
283.15
5
1
4.9e-05
3
1
3.4e-06
1
288.15
5
1
5.62e-05
3
1
3.9e-06
1
293.15
5
1
6.58e-05
3
1
4.6e-06
1
298.15
5
1
7.45e-05
3
1
5.2e-06
1
303.15
5
1
8.51e-05
3
1
6e-06
1
308.15
5
1
9.89e-05
3
1
6.9e-06
1
313.15
5
1
0.0001141
4
1
8e-06
1
318.15
5
1
0.0001359
4
1
9.5e-06
7
10
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
5.16e-05
3
1
3.6e-06
1
283.15
5
1
6.45e-05
3
1
4.5e-06
1
288.15
5
1
8.12e-05
3
1
5.7e-06
1
293.15
5
1
9.57e-05
3
1
6.7e-06
1
298.15
5
1
0.0001201
4
1
8.4e-06
1
303.15
5
1
0.0001472
4
1
1.03e-05
1
308.15
5
1
0.0001707
4
1
1.2e-05
1
313.15
5
1
0.0002057
4
1
1.44e-05
1
318.15
5
1
0.0002477
4
1
1.73e-05
8
7
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
9.77e-05
3
1
2.9e-06
1
283.15
5
1
0.0001098
4
1
3.1e-06
1
288.15
5
1
0.0001295
4
1
3.5e-06
1
293.15
5
1
0.0001475
4
1
4e-06
1
298.15
5
1
0.0001718
4
1
4.6e-06
1
303.15
5
1
0.0001962
4
1
5.3e-06
1
308.15
5
1
0.0002288
4
1
6e-06
1
313.15
5
1
0.0002701
4
1
7e-06
1
318.15
5
1
0.0003232
4
1
8.3e-06
9
12
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
0.089404
5
1
0.006261
1
283.15
5
1
0.087055
5
1
0.006097
1
288.15
5
1
0.084838
5
1
0.005941
1
293.15
5
1
0.082588
5
1
0.005784
1
298.15
5
1
0.081104
5
1
0.00568
1
303.15
5
1
0.080141
5
1
0.005612
1
308.15
5
1
0.079224
5
1
0.005548
1
313.15
5
1
0.07874
5
1
0.005514
1
318.15
5
1
0.078332
5
1
0.005486
10
6
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
0.101135
6
1
0.007083
1
283.15
5
1
0.099312
5
1
0.006955
1
288.15
5
1
0.097277
5
1
0.006813
1
293.15
5
1
0.095682
5
1
0.006701
1
298.15
5
1
0.093985
5
1
0.006582
1
303.15
5
1
0.092425
5
1
0.006473
1
308.15
5
1
0.091024
5
1
0.006375
1
313.15
5
1
0.089815
5
1
0.00629
1
318.15
5
1
0.088885
5
1
0.006225
11
13
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
283.15
5
1
4.83e-05
3
1
3.4e-06
1
288.15
5
1
5.2e-05
3
1
3.6e-06
1
293.15
5
1
5.75e-05
3
1
4e-06
1
298.15
5
1
6.29e-05
3
1
4.4e-06
1
303.15
5
1
6.98e-05
3
1
4.9e-06
1
308.15
5
1
7.73e-05
3
1
5.4e-06
1
313.15
5
1
8.87e-05
3
1
6.2e-06
1
318.15
5
1
0.0001022
4
1
7.2e-06
12
9
1
1
1
Principal objective of the work
EP
EP
12/30/2016
1
Mole fraction
gravimetric
1
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
278.15
5
1
0.062026
5
1
0.004344
1
283.15
5
1
0.057545
5
1
0.00403
1
288.15
5
1
0.053298
5
1
0.003733
1
293.15
5
1
0.050147
5
1
0.003512
1
298.15
5
1
0.047292
5
1
0.003312
1
303.15
5
1
0.044295
5
1
0.003102
1
308.15
5
1
0.042479
5
1
0.002975
1
313.15
5
1
0.041041
5
1
0.002874
1
318.15
5
1
0.039016
5
1
0.002732