2
0
2009
yan
di
1
journal
Original
Yang, W.-W.[Wei-Wei]
Di, Y.-Y.[You-Ying]
Kong, Y.-X.[Yu-Xia]
Zhu, Y.-F.[Yan-Feng]
Tan, Z.-C.[Zhi-Cheng]
J. Chem. Eng. Data
2009
2020-09-29
Synthesis, Characterization, and Thermodynamic Study of Barium Benzoate Ba(C7H5O2)2(s)
Benzoic acid and barium hydroxide octahydrate were used as reactants, and a compound Ba(C7H5O2)2(s) was synthesized by the method of hydrothermal reaction. Chemical and elemental analyses, FTIR, and X-ray powder diffraction techniques were applied to characterize the composition and structure of the compound. Low-temperature heat capacities of the compound were measured by a precision automated adiabatic calorimeter over the temperature range from (77 to 402) K. A polynomial equation of the heat capacities as a function of temperature was fitted by the least-squares method. Smoothed heat capacities and thermodynamic functions of the compound were calculated on the basis of the fitted polynomial. The enthalpy change of the reaction of benzoic acid with barium hydroxide octahydrate was determined to be (22.03 +- 0.30) kJ*mol-1 by respective measuring enthalpies of dissolution of benzoic acid and Ba(C7H5O2)2(s) in 0.1 mol*dm-3 HCl and barium hydroxide octahydrate in 0.1 mol*dm-3 HCl solution containing certain amounts of benzoic acid at 298.15 K by using an isoperibol solution-reaction calorimeter. The standard molar enthalpy of formation of the title compound Ba(C7H5O2)2(s) was derived to be -(1231.47 +- 1.12) kJ*mol-1 in accordance with Hess law.
10.1021/je800876t
7
54
2038-2044
1
InChI=1S/Ba
DSAJWYNOEDNPEQ-UHFFFAOYSA-N
barium
barium element
Ba
2
InChI=1S/H2/h1H
UFHFLCQGNIYNRP-UHFFFAOYSA-N
hydrogen
hydrogen (normal)
H2
3
graphite
C
4
InChI=1S/O2/c1-2
MYMOFIZGZYHOMD-UHFFFAOYSA-N
oxygen
O2
5
InChI=1S/2C7H6O2.Ba/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
MJIAXOYYJWECDI-UHFFFAOYSA-L
barium benzoate
benzoic acid, barium salt
C14H10BaO4
1
Synthesized by the authors
1
99
2
Chemical analysis
1
5
1
Principal objective of the work
VVD
TRC
11/30/2012
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
77.78
4
1
109.64
5
1
0.68
1
79.5
4
1
111.79
5
1
0.7
1
82.08
4
1
114.77
5
1
0.71
1
84.57
4
1
117.57
5
1
0.73
1
86.98
4
1
119.65
5
1
0.74
1
89.39
4
1
121.92
5
1
0.76
1
91.65
4
1
124.31
5
1
0.78
1
93.86
4
1
126.6
5
1
0.79
1
96.1
4
1
128.79
5
1
0.81
1
98.25
4
1
130.89
5
1
0.82
1
100.3
4
1
132.67
5
1
0.83
1
102.4
4
1
134.86
5
1
0.84
1
104.4
4
1
137.21
5
1
0.86
1
106.5
4
1
139.25
5
1
0.87
1
108.3
4
1
141.18
5
1
0.88
1
110.3
4
1
142.99
5
1
0.89
1
112.2
4
1
144.86
5
1
0.9
1
114.1
4
1
146.37
5
1
0.91
1
115.9
4
1
148.24
5
1
0.92
1
117.8
4
1
150.2
5
1
0.93
1
119.6
4
1
152.24
5
1
0.95
1
122.4
4
1
154.37
5
1
0.96
1
125.9
4
1
157.49
5
1
0.98
1
128.8
4
1
160.12
5
1
0.99
1
131.6
4
1
162.83
5
1
1.01
1
134.5
4
1
165.78
5
1
1.03
1
137.4
4
1
168.03
5
1
1.04
1
140.3
4
1
170.89
5
1
1.06
1
143.1
4
1
173.54
5
1
1.07
1
146.1
4
1
176.75
5
1
1.09
1
148.9
4
1
178.82
5
1
1.11
1
152.8
4
1
182.27
5
1
1.13
1
154.7
4
1
184.19
5
1
1.14
1
157.6
4
1
186.99
5
1
1.15
1
160.4
4
1
189.18
5
1
1.17
1
163.4
4
1
191.95
5
1
1.18
1
166.3
4
1
194.11
5
1
1.2
1
169.1
4
1
197.21
5
1
1.22
1
172
4
1
199.98
5
1
1.23
1
174.9
4
1
202.6
5
1
1.25
1
177.8
4
1
204.53
5
1
1.26
1
180.6
4
1
207.13
5
1
1.28
1
184.7
4
1
211.18
5
1
1.3
1
188.6
4
1
214.68
5
1
1.32
1
191.5
4
1
216.93
5
1
1.33
1
194.4
4
1
219.24
5
1
1.35
1
197.2
4
1
221.9
5
1
1.36
1
200.2
4
1
224.02
5
1
1.38
1
203.1
4
1
226.01
5
1
1.39
1
206
4
1
228.46
5
1
1.4
1
208.9
4
1
231.14
5
1
1.42
1
211.8
4
1
233.77
5
1
1.44
1
214.6
4
1
235.99
5
1
1.45
1
217.5
4
1
238.64
5
1
1.47
1
220.5
4
1
240.68
5
1
1.48
1
223.4
4
1
243.49
5
1
1.49
1
226.3
4
1
245.79
5
1
1.51
1
229.1
4
1
248.3
5
1
1.52
1
232
4
1
250.4
5
1
1.54
1
235
4
1
253.03
5
1
1.55
1
238
4
1
255.71
5
1
1.57
1
242.6
4
1
259.3
5
1
1.59
1
245.5
4
1
262.07
5
1
1.61
1
248.3
4
1
264.47
5
1
1.62
1
251.2
4
1
266.71
5
1
1.63
1
254.2
4
1
269.22
5
1
1.65
1
257
4
1
270.83
5
1
1.66
1
259.8
4
1
272.78
5
1
1.67
1
262.7
4
1
276.16
5
1
1.69
1
265.6
4
1
277.74
5
1
1.7
1
268.6
4
1
279.79
5
1
1.71
1
271.6
4
1
282.06
5
1
1.73
1
274.5
4
1
284.16
5
1
1.74
1
277.5
4
1
286.12
5
1
1.75
1
280.4
4
1
288.42
5
1
1.76
1
283.3
4
1
290.79
5
1
1.78
1
286.3
4
1
292.92
5
1
1.79
1
289.2
4
1
295.05
5
1
1.8
1
292
4
1
297.35
5
1
1.82
1
294.9
4
1
299.58
5
1
1.83
1
297.9
4
1
301.75
5
1
1.84
1
300.8
4
1
303.71
5
1
1.86
1
303.6
4
1
305.99
5
1
1.87
1
306.5
4
1
308.5
5
1
1.89
1
309.3
4
1
310.54
5
1
1.9
1
312.2
4
1
312.73
5
1
1.91
1
315.2
4
1
314.63
5
1
1.92
1
318.2
4
1
316.73
5
1
1.94
1
321.2
4
1
318.3
5
1
1.94
1
324.1
4
1
320.78
5
1
1.96
1
327
4
1
322.91
5
1
1.97
1
330
4
1
325.19
5
1
1.99
1
332.9
4
1
327.09
5
1
2
1
335.9
4
1
329.01
5
1
2.01
1
338.7
4
1
330.94
5
1
2.02
1
341.6
4
1
333.36
5
1
2.04
1
344.6
4
1
335.34
5
1
2.05
1
347.5
4
1
337.3
5
1
2.06
1
350.3
4
1
339.28
5
1
2.07
1
353.2
4
1
340.83
5
1
2.08
1
356.2
4
1
342.81
5
1
2.09
1
359
4
1
344.74
5
1
2.1
1
361.9
4
1
346.43
5
1
2.11
1
364.8
4
1
348.25
5
1
2.13
1
367.6
4
1
350.41
5
1
2.14
1
370.5
4
1
352.35
5
1
2.15
1
373.5
4
1
354.08
5
1
2.16
1
376.4
4
1
355.62
5
1
2.17
1
379.4
4
1
358.05
5
1
2.18
1
382.4
4
1
359.77
5
1
2.19
1
385.3
4
1
361.34
5
1
2.2
1
388.3
4
1
363.44
5
1
2.22
1
390.7
4
1
364.99
5
1
2.23
1
393
4
1
366.42
5
1
2.23
1
395.9
4
1
368.64
5
1
2.25
1
398.9
4
1
370.39
5
1
2.26
1
401.9
4
1
371.91
5
1
2.27
1
5
1
1
Crystal
1
-1
Crystal
2
-5
Ideal gas
3
-14
Crystal
4
-2
Ideal gas
Principal objective of the work
VVD
TRC
11/30/2012
Formation of a compound from elements in their stable state
1
Molar enthalpy of reaction, kJ/mol
Solution calorimetry
298.15
5
101.3
4
1
Data file compiler
Propagation of evaluated standard uncertainties
95
1
-1231.47
6
1
2.24