|
Курсовая работа: Энтальпия образования индивидуальных веществ. Прогнозирование энтальпии образования методом Бенсона
Продолжение табл. 1.2
Группа |
кДж/моль
|
, Дж/(моль×К)
|
, Дж/(моль×К) при температуре, К
|
298 |
400 |
500 |
600 |
800 |
1000 |
1500 |
O–(C,Cr) |
-98,37 |
|
|
|
|
|
|
|
|
O–(C,O) |
-18,84 |
39,35 |
15,49 |
15,49 |
15,49 |
15,49 |
17,58 |
17,58 |
20,009 |
O–(C,PO) |
-170,36 |
|
|
|
|
|
|
|
|
O–(C,P) |
-98,37 |
|
|
|
|
|
|
|
|
O–(C,P=N) |
-170,36 |
|
|
|
|
|
|
|
|
O–(C,Ti) |
-98,37 |
|
|
|
|
|
|
|
|
O–(C,V) |
-98,37 |
|
|
|
|
|
|
|
|
O–(C,=C) |
-127,67 |
40,6 |
12,72 |
13,9 |
14,65 |
15,49 |
17,54 |
18,96 |
|
O–(O,SO2)
|
12,56 |
|
|
|
|
|
|
|
|
O–(=C,CO) |
-189,2 |
15,91 |
6,03 |
12,47 |
16,66 |
18,79 |
20,8 |
21,77 |
|
OH–(B) |
-483,47 |
|
|
|
|
|
|
|
|
OH–(Cb) |
-158,64 |
121,81 |
18 |
18,84 |
20,09 |
21,77 |
25,12 |
27,63 |
|
OH–(CO) |
-243,2 |
102,64 |
15,95 |
20,85 |
24,28 |
26,54 |
30,01 |
32,44 |
37,34 |
OH–(Ct) |
-158,64 |
146,21 |
|
|
|
|
|
|
|
OH–(C) |
-158,56 |
121,68 |
18,12 |
18,63 |
20,18 |
21,89 |
25,2 |
27,67 |
33,65 |
OH–(O) |
-68,1 |
116,58 |
21,64 |
|
|
|
|
|
|
OH–(PO) |
-272,08 |
|
|
|
|
|
|
|
|
OH–(P) |
-245,71 |
|
|
|
|
|
|
|
|
OH–(SO2)
|
-159,06 |
|
|
|
|
|
|
|
|
OH–(SO) |
-159,06 |
|
|
|
|
|
|
|
|
OH–(S) |
-159,06 |
|
|
|
|
|
|
|
|
OH–(=C) |
-158,64 |
146,21 |
|
|
|
|
|
|
|
O(CN)–(Cb) |
29,3 |
122,23 |
34,74 |
|
|
|
|
|
|
O(CN)–(C) |
8,37 |
165,34 |
41,86 |
|
|
|
|
|
|
O(CN)–(=C) |
31,39 |
180,41 |
54,42 |
|
|
|
|
|
|
O(NO2)–(C)
|
-81,21 |
203,01 |
39,93 |
48,3 |
55,5 |
65,3 |
68,61 |
72,75 |
|
O(NO)–(C) |
-24,7 |
175,39 |
38,09 |
43,11 |
46,88 |
50,23 |
55,67 |
58,18 |
60,69 |
CO–(2Cb) |
-159,41 |
|
22,01 |
28,33 |
32,09 |
35,48 |
40,25 |
41,21 |
|
CO–(C,О) |
-146,86 |
20,00 |
24,98 |
28,03 |
30,96 |
33,56 |
37,11 |
39,16 |
|
CO–(С,CО) |
-122,17 |
|
22,84 |
26,44 |
29,96 |
32,93 |
37,66 |
40,84 |
|
CO–(=C,О) |
-135,98 |
|
24,98 |
28,03 |
31,00 |
33,56 |
37,11 |
39,16 |
|
CO–(Cb,О) |
-135,98 |
|
9,12 |
11,51 |
16,65 |
21,05 |
26,32 |
29,54 |
|
CO–(C,N) |
-137,24 |
67,78 |
22,47 |
25,82 |
29,58 |
32,05 |
40,25 |
46,82 |
|
CO–(2C) |
-131,38 |
62,80 |
23,39 |
26,44 |
29,66 |
32,47 |
37,20 |
40,21 |
|
CO–(C,Сb) |
-129,29 |
|
23,77 |
28,95 |
32,22 |
34,98 |
39,29 |
40,84 |
|
(CO)Br–(Cb) |
-158,23 |
|
|
|
|
|
|
|
|
(CO)Cl–(Cb) |
-218,92 |
167,43 |
|
|
|
|
|
|
|
(CO)Cl–(C) |
-200,92 |
176,64 |
42,28 |
46,04 |
49,39 |
51,9 |
55,67 |
57,76 |
|
(CO)H–(H) |
-108,78 |
224,56 |
35,44 |
39,25 |
43,76 |
48,20 |
55,94 |
61,97 |
|
(CO)H–(Cb) |
-121,81 |
148,18 |
33,53 |
44,2 |
48,77 |
59,48 |
68,56 |
74,01 |
|
(CO)H–(CO) |
-105,9 |
89,16 |
28,13 |
32,78 |
37,25 |
41,4 |
47,84 |
50,73 |
|
(CO)H–(Ct) |
-121,81 |
148,18 |
|
|
|
|
|
|
|
(CO)H–(C) |
-121,81 |
146,21 |
29,43 |
32,94 |
36,92 |
40,52 |
46,71 |
51,07 |
|
(CO)H–(N) |
-123,9 |
146,21 |
29,43 |
32,94 |
36,92 |
40,52 |
46,71 |
51,07 |
|
(CO)H–(O) |
-134,37 |
146,21 |
29,43 |
32,94 |
36,92 |
40,52 |
46,71 |
51,07 |
|
(CO)H–(=C) |
-121,81 |
148,18 |
24,32 |
30,22 |
39,77 |
48,77 |
63,12 |
74,68 |
|
(CO)I–(Cb) |
-99,2 |
|
|
|
|
|
|
|
|
Галогенсодержащие группы
|
CBr–(3C) |
-1,67 |
-8,37 |
39,35 |
47,72 |
52,74 |
55,25 |
56,93 |
56,09 |
|
CBr3–(C)
|
37,67 |
245,29 |
72,12 |
78,65 |
82,92 |
85,64 |
88,66 |
89,66 |
|
Продолжение табл. 1.2
Группа |
кДж/моль
|
, Дж/(моль×К)
|
, Дж/(моль×К) при температуре, К
|
298 |
400 |
500 |
600 |
800 |
1000 |
1500 |
CBrF2–(C)
|
-395,56 |
|
|
|
|
|
|
|
|
CCl–(2C,O) |
-54,58 |
|
|
|
|
|
|
|
|
CCl–(3C) |
-53,58 |
-22,6 |
36,96 |
43,87 |
47,72 |
49,52 |
52,07 |
53,12 |
|
CCl2–(2C)
|
-92,93 |
93,76 |
51,07 |
62,29 |
66,76 |
68,98 |
70,99 |
71,24 |
|
CCl2F–(C)
|
-266,22 |
|
|
|
|
|
|
|
|
CCl3–(CO)
|
-43,11 |
|
|
|
|
|
|
|
|
CCl3–(C)
|
-104,23 |
210,97 |
68,23 |
75,35 |
79,95 |
82,88 |
86,23 |
87,9 |
|
CClF–(2C) |
-225,2 |
|
|
|
|
|
|
|
|
CClF2–(C)
|
-444,96 |
185,06 |
57,35 |
67,39 |
73,25 |
77,86 |
82,88 |
85,39 |
|
CF–(3C) |
-216,83 |
-32,23 |
28,46 |
37,09 |
42,7 |
46,71 |
52,03 |
53,24 |
|
CF–(3N) |
-103,14 |
|
|
|
|
|
|
|
|
CF2–(2C)
|
-414,4 |
74,51 |
39,01 |
46,97 |
53,24 |
57,85 |
63,46 |
65,84 |
|
CF2–(2N)
|
-391,08 |
|
|
|
|
|
|
|
|
CF2–(C,CO)
|
-396,36 |
|
|
|
|
|
|
|
|
CF2–(C,O)
|
-466,72 |
|
|
|
|
|
|
|
|
CF3–(Cb)
|
-691,5 |
179,15 |
52,32 |
64,04 |
72 |
77,44 |
84,14 |
87,9 |
|
CF3–(CO)
|
-641,02 |
|
|
|
|
|
|
|
|
CF3–(C)
|
-702,97 |
177,9 |
53,16 |
62,79 |
68,65 |
74,93 |
80,79 |
83,72 |
|
CF3–(N)
|
-674,76 |
|
|
|
|
|
|
|
|
CF3–(S)
|
-629,13 |
162,83 |
41,36 |
54,46 |
62,08 |
68,52 |
76,06 |
79,99 |
|
CF(NO2)2–(Cb)
|
-277,1 |
|
|
|
|
|
|
|
|
CF(NO2)2–(C)
|
-195,9 |
|
|
|
|
|
|
|
|
CH2Br–(Cb)
|
-16,53 |
176,64 |
30,51 |
46,46 |
52,2 |
57,3 |
65,26 |
69,95 |
|
CH2Br–(C)
|
-22,6 |
170,78 |
38,09 |
46,04 |
52,74 |
57,35 |
64,88 |
70,32 |
|
CH2Br–(=C)
|
-16,53 |
171,62 |
40,6 |
47,72 |
54,42 |
59,86 |
67,81 |
73,67 |
|
CH2Cl–(Cb)
|
-73,42 |
|
|
|
|
|
|
|
|
CH2Cl–(CO)
|
-44,79 |
|
|
|
|
|
|
|
|
CH2Cl–(C)
|
-69,07 |
158,23 |
37,25 |
44,79 |
51,49 |
56,09 |
64,04 |
69,9 |
|
CH2Cl–(=C)
|
-68,65 |
|
|
|
|
|
|
|
|
CH2F–(C)
|
-223,11 |
148,18 |
33,91 |
41,86 |
50,23 |
54,42 |
63,62 |
69,49 |
|
CH2I–(Cb)
|
35,16 |
186,27 |
33,91 |
45,17 |
53,7 |
59,9 |
68,15 |
73,8 |
|
CH2I–(CO)
|
43,07 |
|
|
|
|
|
|
|
|
CH2I–(C)
|
33,49 |
179,99 |
38,51 |
46,04 |
54 |
58,18 |
66,14 |
72 |
|
CH2I–(O)
|
15,91 |
170,36 |
34,41 |
43,91 |
51,19 |
56,72 |
64,25 |
69,36 |
|
CH2I–(=C)
|
33,28 |
|
|
|
|
|
|
|
|
CHBr–(2C) |
-14,23 |
79,95 |
37,38 |
44,62 |
50,06 |
53,75 |
58,81 |
61,62 |
|
CHBrCl–(C) |
-37,67 |
191,29 |
51,9 |
58,6 |
63,3 |
68,23 |
74,93 |
79,53 |
|
CHBrF–(C) |
-228,13 |
|
|
|
|
|
|
|
|
CHCl–(2C) |
-61,95 |
69,78 |
35,45 |
42,7 |
48,89 |
53,41 |
59,82 |
64,38 |
|
CHCl–(C,CO) |
-94,22 |
|
|
|
|
|
|
|
|
CHCl–(C,O) |
-90,41 |
66,56 |
37,67 |
41,44 |
43,95 |
46,88 |
|
|
|
CHCl2–(CO)
|
48,93 |
|
|
|
|
|
|
|
|
CHCl2–(C)
|
-87,9 |
182,92 |
50,65 |
58,6 |
64,46 |
69,07 |
74,93 |
78,28 |
|
CHClF–(C) |
-256,59 |
|
|
|
|
|
|
|
|
CHF–(2C) |
-205,11 |
58,6 |
30,56 |
37,84 |
43,83 |
48,39 |
54,83 |
58,64 |
|
CHF2–(C)
|
-455 |
163,67 |
41,44 |
50,23 |
57,35 |
63,21 |
69,9 |
74,51 |
|
CHI–(2C) |
43,95 |
89,16 |
38,64 |
45,67 |
50,9 |
54,42 |
59,31 |
61,95 |
|
CHI–(C,=С) |
55,73 |
|
34,02 |
41,92 |
49,45 |
52,72 |
58,58 |
62,34 |
|
CHI2–(C)
|
108,83 |
228,55 |
56,93 |
63,42 |
69,61 |
74,17 |
79,7 |
81,58 |
|
CI–(3C) |
54,42 |
|
41,15 |
49,18 |
54,08 |
56,3 |
57,72 |
56,93 |
|
=СI–(C) |
98,74 |
|
37,24 |
38,49 |
38,07 |
39,33 |
39,75 |
40,17 |
|
Продолжение табл. 1.2
Группа |
кДж/моль
|
, Дж/(моль×К)
|
, Дж/(моль×К) при температуре, К
|
298 |
400 |
500 |
600 |
800 |
1000 |
1500 |
=СCl–(=C) |
-14,90 |
|
34,73 |
38,49 |
39,33 |
41,42 |
41,42 |
41,42 |
|
=СI–(=C) |
92,63 |
|
38,49 |
41,42 |
41,84 |
43,10 |
43,10 |
42,26 |
|
=CBr2
|
31,39 |
199,25 |
51,49 |
55,25 |
58,18 |
59,86 |
62,37 |
63,62 |
|
=CBrCl |
27,21 |
188,78 |
50,65 |
53,16 |
56,51 |
59,02 |
61,53 |
62,79 |
|
=CBrF |
-131,02 |
177,9 |
45,21 |
50,23 |
53,58 |
56,51 |
59,86 |
61,53 |
|
=CCl–(C) |
-8,79 |
62,79 |
|
|
|
|
|
|
|
=CCl2
|
-7,53 |
176,22 |
47,72 |
52,32 |
55,67 |
58,18 |
61,11 |
62,79 |
|
=CClF |
-180,83 |
166,6 |
43,11 |
48,97 |
52,74 |
55,67 |
59,44 |
61,53 |
|
=CF–(=C) |
-144,83 |
|
|
|
|
|
|
|
|
=CF2
|
-324,4 |
156,13 |
40,6 |
46,04 |
50,23 |
53,16 |
57,76 |
60,69 |
|
=CHBr |
46,04 |
160,32 |
33,91 |
39,77 |
44,37 |
47,72 |
51,9 |
55,25 |
|
=CHCl |
-5,02 |
148,18 |
33,07 |
38,51 |
43,11 |
46,88 |
51,49 |
54,83 |
|
=CHF |
-157,39 |
137,3 |
28,46 |
35,16 |
39,77 |
43,95 |
49,39 |
53,16 |
|
=CHI |
102,55 |
169,53 |
36,84 |
41,86 |
45,63 |
48,56 |
52,74 |
55,67 |
|
=CimBr–(Cb) |
29,3 |
|
|
|
|
|
|
|
|
=CimBr–(C) |
-24,7 |
|
|
|
|
|
|
|
|
=CimCl–(Cb) |
14,65 |
|
|
|
|
|
|
|
|
=CimCl–(C) |
-39,35 |
|
|
|
|
|
|
|
|
=CimF–(Cb) |
-184,6 |
|
|
|
|
|
|
|
|
=CimF–(C) |
-238,59 |
|
|
|
|
|
|
|
|
=CimHBr |
-12,56 |
|
|
|
|
|
|
|
|
=CimHCl |
-27,21 |
|
|
|
|
|
|
|
|
=CimHF |
-226,45 |
|
|
|
|
|
|
|
|
=CimHI |
92,09 |
|
|
|
|
|
|
|
|
=CimI–(Cb) |
133,95 |
|
|
|
|
|
|
|
|
=CimI–(C) |
79,95 |
|
|
|
|
|
|
|
|
Азотсодержащие группы
|
CH2(N3)–(C)
|
267,89 |
195,48 |
64,46 |
|
|
|
|
|
|
=CH(N3)
|
340,73 |
182,08 |
54,42 |
|
|
|
|
|
|
N–(2C,B) |
-41,57 |
|
|
|
|
|
|
|
|
N–(2C,Cb) |
109,67 |
-64,88 |
2,6 |
8,46 |
13,69 |
17,29 |
21,89 |
23,4 |
|
N–(2C,CO) |
25,53 |
-70,74 |
13,02 |
19,17 |
23,52 |
26,16 |
28,42 |
28,76 |
|
N–(2C,N) |
122,23 |
-57,76 |
|
|
|
|
|
|
|
N–(2C,PO) |
74,51 |
|
|
|
|
|
|
|
|
N–(2C,P) |
134,78 |
|
|
|
|
|
|
|
|
N–(2C,SO2)
|
-85,39 |
|
25,2 |
26,58 |
31,56 |
34,45 |
37,8 |
38,47 |
|
N–(2C,SO) |
66,97 |
|
17,58 |
24,61 |
25,62 |
27,33 |
28,59 |
34,91 |
|
N–(2C,S) |
125,16 |
|
15,99 |
21,64 |
25,99 |
29,05 |
30,93 |
38,68 |
|
N–(2C,Ti) |
163,67 |
|
|
|
|
|
|
|
|
N–(2C,=C) |
102,13 |
|
|
|
|
|
|
|
|
N–(2C,=Nim) |
122,23 |
|
|
|
|
|
|
|
|
N–(3Cb) |
125,99 |
|
|
|
|
|
|
|
|
N–(3C) |
102,13 |
-56,34 |
14,57 |
19,09 |
22,73 |
24,99 |
27,46 |
27,92 |
27,21 |
N–(Cb,2СO) |
-2,09 |
-69,9 |
4,1 |
12,81 |
17,71 |
20,3 |
22,1 |
22,14 |
|
N–(C,2СO) |
-24,7 |
63,62 |
4,48 |
12,99 |
18,04 |
20,93 |
22,94 |
27,08 |
|
N–(C,=С,N) |
124,74 |
|
|
|
|
|
|
|
|
Nb pyrid |
70,16 |
46,18 |
8,37 |
12,92 |
15,72 |
17,47 |
19,28 |
20,10 |
20,88 |
NbO |
18,84 |
|
|
|
|
|
|
|
|
NF2–(C)
|
-32,65 |
|
26,5 |
34,58 |
40,9 |
45,63 |
50,9 |
53,54 |
|
NH–(2Cb) |
68,23 |
18 |
9,04 |
13,06 |
17,29 |
21,35 |
28,3 |
32,98 |
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