2
0
2019
lel
yak
1
journal
Original
Lelet, Maxim I.
Yakun'kova, Maria L.
Kowalski, Piotr M.
Suleimanov, Evgeny V.
Geiger, Charles A.
Alekseev, Evgeny V.
J. Chem. Thermodyn.
2019
2020-09-29
An experimental calorimetric and a DFT + U study of the thermodynamic properties of Cs4[(UO2)4(WO5)(W2O8)O2] and Cs4[(UO2)7(WO5)3O3]
A calorimetric and thermodynamic investigation of two alkali-metal uranyl tungstates, Cs4UO24WO5W2O8O2(cr) and Cs4[UO27WO53O3](cr), was undertaken. Both phases were synthesized by solid-state sintering of a mixture of cesium nitrate, tungsten (VI) oxide and gamma-uranium (VI) oxide at high temperature. The synthetic products were characterized by X-ray powder diffraction and X-ray fluorescence methods. The enthalpies of formation of both phases were determined using HF-solution calorimetry giving deltafHmoT=298.15K,Cs4UO24WO5W2O8O2,cr=-9239+-17kJ*mol-1 anddeltafHmoT=298.15K,Cs4UO27WO53O3,cr=-13008+-23kJ*mol-1. The low-temperature heat capacity, Cp,mo, was measured using adiabatic calorimetry from T = 5 K to 324 K for Cs4UO24WO5W2O8O2cr and from T = 5 K to 325 K for Cs4UO27WO53O3cr. Using these Cp,moT data, the third law entropy at T = 298.15 K, Smo, is calculated as (931 +- 4) J*K-1*mol-1 for Cs4UO24WO5W2O8O2cr and (1262 +- 8) J*K-1*mol-1 for Cs4UO27WO53O3cr. These new experimental results, together with literature data, are used to calculate the Gibbs energy of formation, deltafGmo, for both phases giving: deltafGmoT=298.15K,Cs4UO24WO5W2O8O2,cr=-8623+-18kJ*mol-1 and deltafGmoT=298.15K,Cs4UO27WO53O3,cr=-12171+-24kJ*mol-1. Smoothed Cp,moT values between 0 K and 320 K are presented, along with values for Smo and the functions HmoT-Hmo0 and GmoT-Hmo0, for both phases. Based on these data, the enthalpy of the intercalation reaction Cs4UO24WO5W2O8O2cr+3UO3cr,gamma-greater thanCs4UO27WO53O3cr at 298 K was determined as -98+-29kJ*mol-1. A value of -90.3kJ*mol-1 at 0 K was obtained from DFT + U calculations. The results show the potential of using DFT + U simulations to understand solid-state reactions involving crystalline phases having 5d- and 5f-elements.
Uranium
Calorimetry
Entropy
Enthalpy
DFT+U
10.1016/j.jct.2019.07.015
139
105873
1
InChI=1S/W
WFKWXMTUELFFGS-UHFFFAOYSA-N
tungsten
wolfram
W
2
InChI=1S/Cs
TVFDJXOCXUVLDH-UHFFFAOYSA-N
cesium
Cs
3
InChI=1S/U
JFALSRSLKYAFGM-UHFFFAOYSA-N
uranium
U
4
InChI=1S/O2/c1-2
MYMOFIZGZYHOMD-UHFFFAOYSA-N
oxygen
O2
5
InChI=1S/4Cs.23O.4U.3W/q4*+1;;;;;;;;;;;;12*-1;4*+2;;;
NSPJBTPVTIOZCW-UHFFFAOYSA-N
cesium tungsten uranium oxide (Cs4W3U4O23)
Cs4O23U4W3
1
Commercial source
1
98
2
Spectroscopy
2
None used
6
InChI=1S/4Cs.32O.7U.3W/q4*+1;;;;;;;;;;;;;;;;;;3*-2;12*-1;7*+2;;;
OCAYSOXZYHJMIO-UHFFFAOYSA-N
cesium tungsten uranium oxide (Cs4W3U7O32)
Cs4O32U7W3
1
Commercial source
1
98
2
Spectroscopy
2
None used
1
5
1
Principal objective of the work
AB
TRC
7/1/2019
1
Molar heat capacity at constant pressure, J/K/mol
Vacuum adiabatic calorimetry
Crystal
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Pressure, kPa
Crystal
101.325
6
1
Temperature, K
Crystal
1
5
1
1
1.98
3
1
0.24
1
10
1
1
13.6
3
1
0.5
1
15
2
1
35.9
3
1
1.2
1
20
1
1
64.4
3
1
0.8
1
25
2
1
95.1
3
1
1
1
30
1
1
121.7
4
1
1.1
1
35
2
1
145.1
4
1
1.3
1
40
1
1
166.9
4
1
1.4
1
45
2
1
187.9
4
1
1.6
1
50
1
1
208.5
4
1
1.7
1
60
1
1
248.1
4
1
2.1
1
70
1
1
284.5
4
1
1.3
1
80
1
1
318.1
4
1
1.4
1
90
1
1
348
4
1
1.5
1
100
1
1
375.6
4
1
1.6
1
110
2
1
401.9
4
1
1.7
1
120
2
1
426.8
4
1
1.8
1
130
2
1
450.3
4
1
1.9
1
140
2
1
472.2
4
1
2
1
150
2
1
492.5
4
1
2
1
160
2
1
511.3
4
1
2.1
1
170
2
1
528.8
4
1
2.2
1
180
2
1
545.1
4
1
2.2
1
190
2
1
560.4
4
1
2.3
1
200
1
1
574.8
4
1
2.4
1
210
2
1
588.6
4
1
2.4
1
220
2
1
601.7
4
1
2.5
1
230
2
1
614.3
4
1
2.5
1
240
2
1
626.5
4
1
2.6
1
250
2
1
638.2
4
1
2.6
1
260
2
1
649.5
4
1
2.7
1
270
2
1
660.5
4
1
2.7
1
273.15
5
1
663.8
4
1
2.7
1
280
2
1
671
4
1
2.8
1
290
2
1
681
4
1
2.8
1
298.15
5
1
688.8
4
1
2.8
1
300
1
1
690.5
4
1
2.8
1
310
2
1
699.3
4
1
2.9
1
320
2
1
707.5
4
1
2.9
2
5
1
Principal objective of the work
AB
TRC
7/1/2019
1
Molar enthalpy, kJ/mol
Vacuum adiabatic calorimetry
Crystal
Difference with the reference state, X-X(REF)
Reference phase with the same composition at fixed temperature and pressure
0
1
100
1
Crystal
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Pressure, kPa
Crystal
101.325
6
1
Temperature, K
Crystal
1
5
1
1
0.0026
2
1
0.0007
1
10
1
1
0.036
2
1
0.002
1
15
2
1
0.157
3
1
0.006
1
20
1
1
0.406
3
1
0.007
1
25
2
1
0.805
3
1
0.012
1
30
1
1
1.35
3
1
0.02
1
35
2
1
2.02
3
1
0.02
1
40
1
1
2.8
3
1
0.03
1
45
2
1
3.68
3
1
0.04
1
50
1
1
4.68
3
1
0.04
1
60
1
1
6.96
3
1
0.06
1
70
1
1
9.63
3
1
0.05
1
80
1
1
12.6
3
1
0.1
1
90
1
1
16
3
1
0.1
1
100
1
1
19.6
3
1
0.1
1
110
2
1
23.5
3
1
0.1
1
120
2
1
27.6
3
1
0.1
1
130
2
1
32
3
1
0.2
1
140
2
1
36.6
3
1
0.2
1
150
2
1
41.5
3
1
0.2
1
160
2
1
46.5
3
1
0.2
1
170
2
1
51.7
3
1
0.2
1
180
2
1
57
3
1
0.2
1
190
2
1
62.6
3
1
0.3
1
200
1
1
68.2
3
1
0.3
1
210
2
1
74.1
3
1
0.3
1
220
2
1
80
3
1
0.3
1
230
2
1
86.1
3
1
0.4
1
240
2
1
92.3
3
1
0.4
1
250
2
1
98.6
3
1
0.4
1
260
2
1
105.1
4
1
0.4
1
270
2
1
111.6
4
1
0.5
1
273.15
5
1
113.7
4
1
0.5
1
280
2
1
118.3
4
1
0.5
1
290
2
1
125
4
1
0.5
1
298.15
5
1
130.6
4
1
0.5
1
300
1
1
131.9
4
1
0.6
1
310
2
1
138.8
4
1
0.6
1
320
2
1
145.9
4
1
0.6
3
5
1
Principal objective of the work
AB
TRC
7/1/2019
1
Molar entropy, J/K/mol
Vacuum adiabatic calorimetry
Crystal
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Pressure, kPa
Crystal
101.325
6
1
Temperature, K
Crystal
1
5
1
1
0.709
3
1
0.091
1
10
1
1
4.9
3
1
0.26
1
15
2
1
14.4
3
1
0.7
1
20
1
1
28.5
3
1
0.5
1
25
2
1
46.2
3
1
0.7
1
30
1
1
66
3
1
0.9
1
35
2
1
86.5
3
1
1.1
1
40
1
1
107.3
4
1
1.4
1
45
2
1
128.2
4
1
1.6
1
50
1
1
149.1
4
1
1.9
1
60
1
1
190.6
4
1
2.4
1
70
1
1
231.7
4
1
1.5
1
80
1
1
271.9
4
1
1.8
1
90
1
1
311.1
4
1
2
1
100
1
1
349.2
4
1
2.2
1
110
2
1
386.2
4
1
2.4
1
120
2
1
422.3
4
1
2.6
1
130
2
1
457.4
4
1
2.9
1
140
2
1
491.6
4
1
3.1
1
150
2
1
524.8
4
1
3.3
1
160
2
1
557.2
4
1
3.5
1
170
2
1
588.8
4
1
3.6
1
180
2
1
619.4
4
1
3.8
1
190
2
1
649.3
4
1
4
1
200
1
1
678.4
4
1
4.2
1
210
2
1
706.8
4
1
4.4
1
220
2
1
734.5
4
1
4.5
1
230
2
1
761.5
4
1
4.7
1
240
2
1
787.9
4
1
4.8
1
250
2
1
813.7
4
1
5
1
260
2
1
839
4
1
5.2
1
270
2
1
863.7
4
1
5.3
1
273.15
5
1
871.4
4
1
5.4
1
280
2
1
887.9
4
1
5.5
1
290
2
1
911.7
4
1
5.6
1
298.15
5
1
930.6
4
1
5.7
1
300
1
1
934.9
4
1
5.7
1
310
2
1
957.7
4
1
5.9
1
320
2
1
980
4
1
6
4
5
1
Principal objective of the work
AB
TRC
1/27/2020
1
Molar heat capacity at constant pressure, J/K/mol
Vacuum adiabatic calorimetry
Crystal
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Pressure, kPa
Crystal
101.325
6
1
Temperature, K
Crystal
1
5.51
3
1
2.54
3
1
0.17
1
5.75
3
1
2.86
3
1
0.18
1
5.85
3
1
3.06
3
1
0.18
1
6.01
3
1
3.29
3
1
0.18
1
6.15
3
1
3.51
3
1
0.19
1
6.24
3
1
3.66
3
1
0.19
1
6.33
3
1
3.85
3
1
0.19
1
6.42
3
1
4.04
3
1
0.2
1
6.52
3
1
4.17
3
1
0.2
1
6.62
3
1
4.38
3
1
0.21
1
6.72
3
1
4.5
3
1
0.22
1
6.81
3
1
4.72
3
1
0.22
1
6.91
3
1
4.91
3
1
0.23
1
7.02
3
1
5.03
3
1
0.23
1
7.13
3
1
5.29
3
1
0.24
1
7.23
3
1
5.48
3
1
0.25
1
7.29
3
1
5.6
3
1
0.25
1
7.4
3
1
5.85
3
1
0.26
1
7.52
3
1
6.11
3
1
0.27
1
7.63
3
1
6.45
3
1
0.28
1
7.74
3
1
6.72
3
1
0.29
1
7.86
3
1
7.02
3
1
0.29
1
7.98
3
1
7.34
3
1
0.3
1
8.1
3
1
7.67
3
1
0.31
1
8.23
3
1
7.97
3
1
0.32
1
8.35
3
1
8.38
3
1
0.33
1
8.48
3
1
8.74
3
1
0.35
1
8.62
3
1
9.15
3
1
0.35
1
8.75
3
1
9.44
3
1
0.36
1
8.89
3
1
9.82
3
1
0.37
1
9.02
3
1
10.15
4
1
0.38
1
9.16
3
1
10.56
4
1
0.39
1
9.26
3
1
10.81
4
1
0.4
1
9.4
3
1
11.33
4
1
0.41
1
9.54
3
1
11.93
4
1
0.42
1
9.69
3
1
12.44
4
1
0.45
1
9.83
3
1
13
4
1
0.46
1
9.98
3
1
13.52
4
1
0.47
1
10.22
4
1
14.37
4
1
0.5
1
10.53
4
1
15.6
4
1
0.52
1
10.85
4
1
16.89
4
1
0.55
1
11.17
4
1
18.16
4
1
0.58
1
11.5
4
1
19.69
4
1
0.6
1
11.84
4
1
21.15
4
1
0.64
1
12.19
4
1
22.64
4
1
0.67
1
12.54
4
1
24.15
4
1
0.69
1
12.9
4
1
26.05
4
1
0.72
1
13.27
4
1
27.73
4
1
0.76
1
13.62
4
1
29.2
4
1
0.79
1
14
4
1
30.77
4
1
0.81
1
14.37
4
1
32.66
4
1
0.85
1
14.76
4
1
34.61
4
1
0.9
1
15.15
4
1
36.54
4
1
0.94
1
15.54
4
1
38.53
4
1
0.98
1
15.93
4
1
40.73
4
1
1.03
1
16.33
4
1
42.86
4
1
1.07
1
16.73
4
1
45.13
4
1
1.13
1
17.14
4
1
47.47
4
1
1.17
1
17.55
4
1
50.06
4
1
1.22
1
17.96
4
1
52.23
4
1
1.27
1
18.38
4
1
54.54
4
1
1.31
1
18.8
4
1
57.35
4
1
1.37
1
19.22
4
1
60.01
4
1
1.42
1
19.64
4
1
62.44
4
1
1.46
1
20.07
4
1
64.94
4
1
0.71
1
20.82
4
1
69.26
4
1
0.74
1
21.88
4
1
75.83
4
1
0.8
1
22.96
4
1
82.96
4
1
0.82
1
23.84
4
1
88.48
4
1
0.81
1
24.93
4
1
94.96
4
1
0.79
1
26.04
4
1
100.6
4
1
0.8
1
27.16
4
1
106.9
4
1
0.8
1
28.28
4
1
112.7
4
1
0.8
1
29.42
4
1
118.7
4
1
0.8
1
30.55
4
1
124.6
4
1
0.8
1
31.7
4
1
130.3
4
1
0.8
1
32.85
4
1
135.5
4
1
0.8
1
34
4
1
140.4
4
1
0.9
1
35.16
4
1
146
4
1
0.9
1
36.32
4
1
150.8
4
1
0.9
1
37.49
4
1
156.8
4
1
0.9
1
38.66
4
1
161.7
4
1
0.9
1
39.84
4
1
166.2
4
1
1
1
41.02
4
1
170.8
4
1
1
1
42.23
4
1
175.9
4
1
1
1
43.42
4
1
180.1
4
1
1
1
44.61
4
1
185.1
4
1
1.1
1
45.8
4
1
190.6
4
1
1.1
1
47
4
1
196.1
4
1
1.1
1
48.19
4
1
202
4
1
1.2
1
49.39
4
1
207.2
4
1
1.2
1
50.59
4
1
211.8
4
1
1.2
1
51.69
4
1
215.8
4
1
1.2
1
53.08
4
1
222.3
4
1
1.2
1
54.44
4
1
227.1
4
1
1.2
1
55.65
4
1
231.3
4
1
1.3
1
56.87
4
1
234.7
4
1
1.3
1
58.08
4
1
239.9
4
1
1.3
1
59.3
4
1
245
4
1
1.3
1
60.52
4
1
249.2
4
1
0.9
1
61.74
4
1
253.9
4
1
0.9
1
62.96
4
1
259
4
1
1
1
64.18
4
1
263.6
4
1
1
1
65.41
4
1
268.8
4
1
1
1
66.63
4
1
273.3
4
1
1
1
67.85
4
1
277.8
4
1
1
1
69.08
4
1
281.6
4
1
1
1
70.31
4
1
285.1
4
1
1
1
71.93
4
1
291
4
1
1
1
73.57
4
1
297.2
4
1
1.1
1
74.57
4
1
300.2
4
1
1
1
76.45
4
1
305.5
4
1
1.1
1
78.81
4
1
313.5
4
1
1.1
1
81.16
4
1
321.6
4
1
1.1
1
83.17
4
1
328.4
4
1
1.2
1
85.17
4
1
334.8
4
1
1.2
1
87.18
4
1
339.7
4
1
1.2
1
89.18
4
1
345.9
4
1
1.2
1
91.18
4
1
352.2
4
1
1.2
1
93.18
4
1
357.7
4
1
1.2
1
95.17
4
1
363
4
1
1.2
1
99.17
4
1
372.1
4
1
1.2
1
102.02
5
1
380.2
4
1
1.2
1
104.99
5
1
387.6
4
1
1.3
1
107.98
5
1
395.2
4
1
1.3
1
110.97
5
1
403.8
4
1
1.3
1
113.97
5
1
412.3
4
1
1.3
1
116.97
5
1
420.4
4
1
1.4
1
119.98
5
1
427.3
4
1
1.4
1
122.99
5
1
434.6
4
1
1.4
1
126.01
5
1
440.5
4
1
1.4
1
129.03
5
1
447.9
4
1
1.4
1
132.06
5
1
454.5
4
1
1.5
1
135.08
5
1
462.2
4
1
1.5
1
138.11
5
1
469.6
4
1
1.5
1
141.15
5
1
475.1
4
1
1.5
1
144.19
5
1
481.1
4
1
1.5
1
147.26
5
1
487.2
4
1
1.6
1
150.31
5
1
493.3
4
1
1.6
1
153.35
5
1
498.9
4
1
1.6
1
156.4
5
1
504.2
4
1
1.6
1
159.46
5
1
510.3
4
1
1.6
1
162.51
5
1
515.8
4
1
1.6
1
165.57
5
1
521.4
4
1
1.7
1
168.62
5
1
525.4
4
1
1.7
1
171.68
5
1
532.2
4
1
1.7
1
174.74
5
1
537.1
4
1
1.7
1
177.81
5
1
542.2
4
1
1.7
1
180.87
5
1
546.4
4
1
1.7
1
183.94
5
1
551
4
1
1.7
1
187
5
1
555.3
4
1
1.8
1
190.07
5
1
559.9
4
1
1.8
1
193.14
5
1
565
4
1
1.8
1
196.26
5
1
569.1
4
1
1.8
1
199.33
5
1
574.1
4
1
1.8
1
202.41
5
1
577.4
4
1
1.8
1
205.49
5
1
581
4
1
1.8
1
209.06
5
1
587.2
4
1
1.9
1
213.16
5
1
592.4
4
1
1.9
1
217.26
5
1
597.7
4
1
1.9
1
221.36
5
1
603.3
4
1
1.9
1
225.46
5
1
608.7
4
1
1.9
1
229.56
5
1
613.8
4
1
1.9
1
233.66
5
1
619.4
4
1
2
1
237.77
5
1
624.2
4
1
2
1
241.87
5
1
630.4
4
1
2
1
245.98
5
1
634.2
4
1
2
1
250.08
5
1
638.7
4
1
2
1
254.19
5
1
643.7
4
1
2
1
258.37
5
1
648.6
4
1
2
1
262.47
5
1
652.7
4
1
2.1
1
266.57
5
1
656.5
4
1
2.1
1
270.68
5
1
662.1
4
1
2.1
1
274.78
5
1
665.6
4
1
2.1
1
278.88
5
1
669.2
4
1
2.1
1
282.98
5
1
673.2
4
1
2.1
1
287.08
5
1
676.3
4
1
2.1
1
291.17
5
1
680.3
4
1
2.1
1
295.25
5
1
684.9
4
1
2.2
1
299.33
5
1
690
4
1
2.2
1
304.12
5
1
695.9
4
1
2.2
1
310.17
5
1
700.4
4
1
2.2
1
316.9
5
1
704.9
4
1
2.2
1
323.6
5
1
710.5
4
1
2.2
5
6
1
Principal objective of the work
AB
TRC
7/1/2019
1
Molar heat capacity at constant pressure, J/K/mol
Vacuum adiabatic calorimetry
Crystal
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Pressure, kPa
Crystal
101.325
6
1
Temperature, K
Crystal
1
5
1
1
4.2
3
1
0.43
1
10
1
1
24.5
3
1
1
1
15
2
1
52.5
3
1
2
1
20
1
1
86.1
3
1
1.2
1
25
2
1
121.3
4
1
1.6
1
30
1
1
154.9
4
1
1.8
1
35
2
1
187
4
1
2.2
1
40
1
1
216.4
4
1
2.5
1
45
2
1
243.9
4
1
2.8
1
50
1
1
270.1
4
1
3
1
60
1
1
321.8
4
1
3.6
1
70
1
1
372.4
4
1
2.4
1
80
1
1
418.2
4
1
2.6
1
90
1
1
467.7
4
1
2.9
1
100
1
1
508.1
4
1
3.1
1
110
2
1
544.1
4
1
3.3
1
120
2
1
577.6
4
1
3.5
1
130
2
1
609.7
4
1
3.7
1
140
2
1
640.5
4
1
3.9
1
150
2
1
670.2
4
1
4.1
1
160
2
1
698.6
4
1
4.2
1
170
2
1
725.5
4
1
4.4
1
180
2
1
750.8
4
1
4.6
1
190
2
1
774.5
4
1
4.7
1
200
1
1
796.4
4
1
4.8
1
210
2
1
816.6
4
1
5
1
220
2
1
835.2
4
1
5.1
1
230
2
1
852.3
4
1
5.2
1
240
2
1
868.1
4
1
5.3
1
250
2
1
882.8
4
1
5.4
1
260
2
1
896.7
4
1
5.4
1
270
2
1
910
4
1
5.5
1
273.15
5
1
914.1
4
1
5.5
1
280
2
1
923.1
4
1
5.6
1
290
2
1
936.3
4
1
5.7
1
298.15
5
1
947.5
4
1
5.7
1
300
1
1
950.1
4
1
5.8
1
310
2
1
964.7
4
1
5.8
1
320
2
1
980.6
4
1
5.9
6
6
1
Principal objective of the work
AB
TRC
7/1/2019
1
Molar enthalpy, kJ/mol
Vacuum adiabatic calorimetry
Crystal
Difference with the reference state, X-X(REF)
Reference phase with the same composition at fixed temperature and pressure
0
1
100
1
Crystal
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Pressure, kPa
Crystal
101.325
6
1
Temperature, K
Crystal
1
5
1
1
0.0062
2
1
0.0014
1
10
1
1
0.073
2
1
0.004
1
15
2
1
0.26
2
1
0.01
1
20
1
1
0.61
2
1
0.01
1
25
2
1
1.13
3
1
0.02
1
30
1
1
1.82
3
1
0.03
1
35
2
1
2.68
3
1
0.04
1
40
1
1
3.68
3
1
0.05
1
45
2
1
4.84
3
1
0.06
1
50
1
1
6.12
3
1
0.07
1
60
1
1
9.08
3
1
0.11
1
70
1
1
12.6
3
1
0.1
1
80
1
1
16.5
3
1
0.1
1
90
1
1
20.9
3
1
0.1
1
100
1
1
25.8
3
1
0.2
1
110
2
1
31.1
3
1
0.2
1
120
2
1
36.7
3
1
0.2
1
130
2
1
42.6
3
1
0.3
1
140
2
1
48.9
3
1
0.3
1
150
2
1
55.5
3
1
0.3
1
160
2
1
62.3
3
1
0.4
1
170
2
1
69.4
3
1
0.4
1
180
2
1
76.8
3
1
0.5
1
190
2
1
84.4
3
1
0.5
1
200
1
1
92.3
3
1
0.6
1
210
2
1
100.4
4
1
0.6
1
220
2
1
108.6
4
1
0.7
1
230
2
1
117
4
1
0.7
1
240
2
1
125.7
4
1
0.8
1
250
2
1
134.4
4
1
0.8
1
260
2
1
143.3
4
1
0.9
1
270
2
1
152.3
4
1
0.9
1
273.15
5
1
155.2
4
1
0.9
1
280
2
1
161.5
4
1
1
1
290
2
1
170.8
4
1
1
1
298.15
5
1
178.5
4
1
1.1
1
300
1
1
180.2
4
1
1.1
1
310
2
1
189.8
4
1
1.2
1
320
2
1
199.5
4
1
1.2
7
6
1
Principal objective of the work
AB
TRC
7/1/2019
1
Molar entropy, J/K/mol
Vacuum adiabatic calorimetry
Crystal
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Pressure, kPa
Crystal
101.325
6
1
Temperature, K
Crystal
1
5
1
1
1.71
3
1
0.19
1
10
1
1
10.2
3
1
0.6
1
15
2
1
25.2
3
1
1.4
1
20
1
1
44.8
3
1
0.9
1
25
2
1
67.9
3
1
1.3
1
30
1
1
93
3
1
1.6
1
35
2
1
119.3
4
1
2.1
1
40
1
1
146.2
4
1
2.5
1
45
2
1
173.3
4
1
2.9
1
50
1
1
200.4
4
1
3.4
1
60
1
1
254.2
4
1
4.3
1
70
1
1
307.6
4
1
2.9
1
80
1
1
360.4
4
1
3.4
1
90
1
1
412.6
4
1
3.8
1
100
1
1
464
4
1
4.3
1
110
2
1
514.2
4
1
4.7
1
120
2
1
563
4
1
5.2
1
130
2
1
610.5
4
1
5.6
1
140
2
1
656.8
4
1
6
1
150
2
1
702
4
1
6.4
1
160
2
1
746.2
4
1
6.8
1
170
2
1
789.3
4
1
7.2
1
180
2
1
831.5
4
1
7.6
1
190
2
1
872.8
4
1
7.9
1
200
1
1
913.1
4
1
8.3
1
210
2
1
952.4
4
1
8.7
1
220
2
1
990.8
4
1
9
1
230
2
1
1028.4
5
1
9.4
1
240
2
1
1065
5
1
9.7
1
250
2
1
1100.7
5
1
10
1
260
2
1
1135.6
5
1
10.3
1
270
2
1
1169.7
5
1
10.6
1
273.15
5
1
1180.3
5
1
10.7
1
280
2
1
1203
5
1
10.9
1
290
2
1
1235.6
5
1
11.2
1
298.15
5
1
1261.8
5
1
11.5
1
300
1
1
1267.6
5
1
11.5
1
310
2
1
1299
5
1
11.8
1
320
2
1
1329.9
5
1
12.1
8
6
1
Principal objective of the work
AB
TRC
1/27/2020
1
Molar heat capacity at constant pressure, J/K/mol
Vacuum adiabatic calorimetry
Crystal
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Pressure, kPa
Crystal
101.325
6
1
Temperature, K
Crystal
1
4.81
3
1
3.69
3
1
0.31
1
4.9
3
1
3.99
3
1
0.3
1
5.03
3
1
4.3
3
1
0.32
1
5.11
3
1
4.5
3
1
0.33
1
5.23
3
1
4.83
3
1
0.33
1
5.36
3
1
5.22
3
1
0.34
1
5.51
3
1
5.67
3
1
0.34
1
5.68
3
1
6.19
3
1
0.35
1
5.86
3
1
6.78
3
1
0.36
1
6.05
3
1
7.45
3
1
0.38
1
6.25
3
1
8.15
3
1
0.39
1
6.42
3
1
8.8
3
1
0.4
1
6.61
3
1
9.48
3
1
0.42
1
6.79
3
1
10.17
4
1
0.44
1
6.98
3
1
10.88
4
1
0.45
1
7.17
3
1
11.59
4
1
0.48
1
7.35
3
1
12.28
4
1
0.49
1
7.54
3
1
12.98
4
1
0.5
1
7.73
3
1
13.84
4
1
0.51
1
7.92
3
1
14.58
4
1
0.54
1
8.12
3
1
15.68
4
1
0.55
1
8.31
3
1
16.59
4
1
0.58
1
8.52
3
1
17.23
4
1
0.59
1
8.72
3
1
18.09
4
1
0.61
1
8.92
3
1
19.22
4
1
0.64
1
9.13
3
1
20
4
1
0.64
1
9.33
3
1
21.11
4
1
0.66
1
9.54
3
1
22.13
4
1
0.69
1
9.75
3
1
23.28
4
1
0.71
1
9.97
3
1
24.41
4
1
0.73
1
10.27
4
1
25.75
4
1
0.77
1
10.66
4
1
27.67
4
1
0.8
1
11.05
4
1
29.84
4
1
0.84
1
11.44
4
1
32.33
4
1
0.9
1
11.84
4
1
34.41
4
1
0.93
1
12.24
4
1
36.62
4
1
0.97
1
12.65
4
1
39.02
4
1
1.01
1
13.05
4
1
41
4
1
1.04
1
13.46
4
1
43.47
4
1
1.1
1
13.88
4
1
45.66
4
1
1.14
1
14.29
4
1
48.26
4
1
1.19
1
14.7
4
1
50.53
4
1
1.25
1
15.12
4
1
52.99
4
1
1.29
1
15.53
4
1
55.68
4
1
1.35
1
15.95
4
1
58.27
4
1
1.4
1
16.37
4
1
60.83
4
1
1.45
1
16.79
4
1
63.55
4
1
1.52
1
17.21
4
1
66.32
4
1
1.58
1
17.63
4
1
69.42
4
1
1.65
1
18.05
4
1
72.24
4
1
1.7
1
18.47
4
1
75.31
4
1
1.76
1
18.9
4
1
78.25
4
1
1.81
1
19.32
4
1
81.28
4
1
1.88
1
19.75
4
1
83.97
4
1
1.94
1
20.17
4
1
87.58
4
1
0.93
1
20.92
4
1
93.24
4
1
0.96
1
21.98
4
1
100.9
4
1
1
1
23.05
4
1
108.4
4
1
1
1
24.14
4
1
115.8
4
1
1
1
25.23
4
1
123.1
4
1
1
1
26.34
4
1
129.8
4
1
1
1
27.45
4
1
137.3
4
1
1.1
1
28.57
4
1
145.2
4
1
1.1
1
29.7
4
1
152.7
4
1
1.1
1
30.83
4
1
160.4
4
1
1.1
1
31.74
4
1
167.1
4
1
1.1
1
32.97
4
1
175.3
4
1
1.1
1
34.12
4
1
182.9
4
1
1.1
1
35.28
4
1
189.2
4
1
1.1
1
36.44
4
1
195.7
4
1
1.2
1
37.6
4
1
201.8
4
1
1.2
1
38.77
4
1
208.3
4
1
1.2
1
39.94
4
1
214.7
4
1
1.2
1
41.12
4
1
220.7
4
1
1.3
1
42.31
4
1
228.6
4
1
1.3
1
44.03
4
1
238.8
4
1
1.4
1
45.38
4
1
246.1
4
1
1.4
1
46.58
4
1
253.1
4
1
1.5
1
47.78
4
1
260.7
4
1
1.5
1
48.98
4
1
267.1
4
1
1.5
1
50.18
4
1
272.9
4
1
1.5
1
51.39
4
1
277.8
4
1
1.5
1
52.59
4
1
283.5
4
1
1.6
1
53.8
4
1
289.9
4
1
1.6
1
55.01
4
1
294.9
4
1
1.6
1
56.22
4
1
301.3
4
1
1.6
1
57.43
4
1
306.1
4
1
1.7
1
58.65
4
1
313.4
4
1
1.7
1
59.86
4
1
319.9
4
1
1.8
1
61.08
4
1
326.5
4
1
1.2
1
62.3
4
1
334.3
4
1
1.2
1
63.55
4
1
340
4
1
1.3
1
64.92
4
1
347.8
4
1
1.3
1
66.37
4
1
355.9
4
1
1.3
1
67.59
4
1
362.1
4
1
1.3
1
68.82
4
1
367.4
4
1
1.3
1
70.05
4
1
373.6
4
1
1.3
1
71.67
4
1
380.1
4
1
1.3
1
73.69
4
1
388.1
4
1
1.4
1
75.71
4
1
397.4
4
1
1.4
1
77.73
4
1
408
4
1
1.5
1
78.87
4
1
413.1
4
1
1.5
1
81.28
4
1
425.8
4
1
1.5
1
83.28
4
1
437.3
4
1
1.5
1
85.29
4
1
445.9
4
1
1.6
1
87.29
4
1
454.3
4
1
1.6
1
89.29
4
1
462.8
4
1
1.6
1
91.29
4
1
471.6
4
1
1.6
1
93.29
4
1
480.8
4
1
1.6
1
95.29
4
1
490
4
1
1.6
1
97.28
4
1
498.8
4
1
1.6
1
99.27
4
1
505.3
4
1
1.6
1
101.75
5
1
515.9
4
1
1.7
1
104.73
5
1
526.7
4
1
1.7
1
107.72
5
1
536.6
4
1
1.7
1
110.72
5
1
547.2
4
1
1.8
1
113.71
5
1
558.6
4
1
1.8
1
116.73
5
1
565.9
4
1
1.8
1
119.74
5
1
575.6
4
1
1.8
1
122.75
5
1
586.5
4
1
1.9
1
125.76
5
1
596.5
4
1
1.9
1
128.78
5
1
606.1
4
1
1.9
1
131.8
5
1
615.9
4
1
2
1
134.82
5
1
624.5
4
1
2
1
137.85
5
1
634.2
4
1
2
1
140.88
5
1
643.3
4
1
2
1
143.91
5
1
651.6
4
1
2.1
1
146.94
5
1
660.7
4
1
2.1
1
149.98
5
1
669.7
4
1
2.1
1
153.02
5
1
678.2
4
1
2.1
1
156.06
5
1
686.2
4
1
2.2
1
159.11
5
1
694.4
4
1
2.2
1
162.16
5
1
702.9
4
1
2.2
1
165.24
5
1
711.9
4
1
2.2
1
168.28
5
1
720.3
4
1
2.3
1
171.33
5
1
728.7
4
1
2.3
1
174.38
5
1
737.4
4
1
2.3
1
177.43
5
1
744.7
4
1
2.3
1
180.48
5
1
752.6
4
1
2.4
1
183.53
5
1
761.6
4
1
2.4
1
186.58
5
1
768.2
4
1
2.4
1
189.63
5
1
775.4
4
1
2.4
1
192.68
5
1
781.9
4
1
2.5
1
195.74
5
1
789.1
4
1
2.5
1
198.79
5
1
796.3
4
1
2.5
1
201.84
5
1
801.2
4
1
2.5
1
204.89
5
1
806.3
4
1
2.5
1
208.44
5
1
813.8
4
1
2.6
1
212.5
5
1
820.3
4
1
2.6
1
216.61
5
1
828.9
4
1
2.6
1
220.67
5
1
834.8
4
1
2.6
1
224.73
5
1
840.9
4
1
2.6
1
228.78
5
1
850.8
4
1
2.7
1
232.83
5
1
857.5
4
1
2.7
1
236.88
5
1
862.9
4
1
2.7
1
240.94
5
1
870.5
4
1
2.7
1
244.98
5
1
874.1
4
1
2.7
1
249.03
5
1
879.4
4
1
2.8
1
253.06
5
1
885.4
4
1
2.8
1
257.09
5
1
892.8
4
1
2.8
1
261.12
5
1
898.2
4
1
2.8
1
265.14
5
1
903.2
4
1
2.8
1
269.15
5
1
907.8
4
1
2.8
1
273.16
5
1
914
4
1
2.9
1
277.16
5
1
919.6
4
1
2.9
1
281.14
5
1
926.7
4
1
2.9
1
285.12
5
1
931.9
4
1
2.9
1
289.09
5
1
935.4
4
1
2.9
1
293.04
5
1
941.1
4
1
2.9
1
296.98
5
1
946.5
4
1
3
1
300.91
5
1
951.6
4
1
3
1
305.42
5
1
957.5
4
1
3
1
310.46
5
1
965.8
4
1
3
1
315.14
5
1
972.8
4
1
4.9
1
319.92
5
1
980.2
4
1
3.1
1
324.69
5
1
987.7
4
1
3.1
1
1
-3
Crystal
2
-4
Crystal
3
-4
Crystal
5
1
1
Crystal
4
-11.5
Ideal gas
Principal objective of the work
AB
TRC
1/27/2020
Formation of a compound from elements in their stable state
1
Molar enthalpy of reaction, kJ/mol
Solution calorimetry
298.15
5
100
1
1
Data file compiler
Propagation of evaluated standard uncertainties
95
1
-9239
4
1
72
2
1
-3
Crystal
2
-4
Crystal
3
-7
Crystal
6
1
1
Crystal
4
-16
Ideal gas
Principal objective of the work
AB
TRC
1/27/2020
Formation of a compound from elements in their stable state
1
Molar enthalpy of reaction, kJ/mol
Solution calorimetry
298.15
5
100
1
1
Data file compiler
Propagation of evaluated standard uncertainties
95
1
-13008
5
1
101