Termoquímica

Calculadora termoquímica
Instrucción: Insertar los datos correspondientes en las celdas de color amarillo
Estado Coeficiente  
Estequimétrico Nombre (kJ/mol) (kJ/mol)
Líquido -0.50 Bromo líquido 0 0
gas -0.50 Hidrógeno 0 0
gas 1.00 Bromuro de Hidrógeno -36.4 -53.45


     
-4.6378787 2.379E-03 4.004E-07 0.000E+00
R (kJ/molK) 0.008314
 -36.4000 
 -53.4500 
 

 0.0572 
 

 -37.6394 

Dr. Juan Carlos Vázquez Lira 2019 Con apoyo del programa UNAM-DGAPA

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 Termoquímica

uladora termoquímica
de color amarillo, el coeficente es negativo para reactivos y positivo para productos
Constantes de CP como función de T en J/molK
a bT cT2 dT3
29.0998162 -8.374E-04 2.014E-06
35.2821196 4.080E-03 -1.489E-06
27.5530892 4.000E-03 6.626E-07

 0.5
T (K) referencia 298.15
T (K) a evaluar 500.00
 -37.1314
 

 -64.9930
 

 0.0553
 -38.3708

J (kJ/mol)
I

on apoyo del programa UNAM-DGAPA-PAPIME PE200419

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 Datos

  Constantes

kJ/mol kJ/mol a b
Sólidos
1 CARBON (GRAPHITE) 0.0000 0.0000 -3.9578 5.59E-02
2 CALCIUM CARBONATE -1206.9200 -1128.7900
3 CALCIUM OXIDE -635.0900 -604.0300
Cp global J/molK
Gases
alcanos a b
4 METHANE -74.8936 -50.4500 1.925E+01 5.213E-02
5 ETHANE -83.8200 -31.8600 5.409E+00 1.781E-01
6 PROPANE -104.6800 -24.2900 -4.224E+00 3.063E-01
7 n-BUTANE -125.7900 -16.5700 9.487E+00 3.313E-01
8 ISOBUTANE -134.9900 -20.8781 -1.390E+00 3.847E-01
9 n-PENTANE -146.7600 -8.6500 -3.626E+00 4.873E-01
10 ISOPENTANE -9.525E+00 5.066E-01
11 NEOPENTANE (2,2-Dimethylpropane) -1.659E+01 5.552E-01
12 n-HEXANE -166.9200 -0.1674 -4.413E+00 5.280E-01
13 n-HEPTANE -187.8000 8.2000 -5.146E+00 6.762E-01
14 n-OCTANE -208.7500 16.4013 -6.096E+00 7.712E-01
15 ISOOCTANE -224.0100 13.6817
16 n-NONANE -228.7400 24.9700 -8.374E+00 8.729E-01
17 n-DECANE -249.4600 33.1800 -7.913E+00 9.609E-01
18 n-DODECANE -9.328E+00 1.149E+00
19 n-TETRADECANE -1.098E+01 1.338E+00
20 n-HEXADECANE -374.1700 82.1500 -1.302E+01 1.529E+00
Naftenos
21 CYCLOPENTANE -78.4000 38.8693 -5.362E+01 5.426E-01
22 METHYLCYCLOPENTANE -106.0230 35.7732 -5.011E+01 6.381E-01
23 CYCLOHEXANE -123.3000 31.7566 -5.454E+01 6.113E-01
24 METHYLCYCLOHEXANE -154.7660 27.2797 -6.192E+01 7.842E-01
25 cis-DECALIN -168.9500 85.8138
26 trans-DECALIN -182.2970 73.4292
Oleafinas y acetilenos
27 ETHYLENE 52.5100 68.4300 3.806E+00 1.566E-01
28 PROPYLENE 19.7100 62.1400 3.710E+00 2.345E-01
29 1-BUTENE -0.5400 70.2400 -2.994E+00 3.532E-01
30 cis-2-BUTENE -7.4000 65.5000
31 trans-2-BUTENE -11.0000 63.4000
32 ISOBUTENE (Isobutylene) -17.1000 57.0000 1.605E+01 2.804E-01

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 Datos

33 1-PENTENE -1.340E-01 4.329E-01

34 1-HEXENE -41.6700 87.4456
35 1-DECENE -124.6900 119.8300
36 CYCLOHEXENE -4.6000 106.8590
37 1,3-BUTADIENE 109.2400 149.7300 -1.687E+00 3.419E-01
38 2-METHYL-1,3-BUTADIENE (Isoprene) -3.412E+00 4.585E-01
39 ACETYLENE 226.7310 209.2000 2.682E+01 7.578E-02
Aromaticos
40 BENZENE 82.8800 129.7500 -3.392E+01 4.739E-01
41 TOLUENE 50.1700 122.2900 -2.435E+01 5.125E-01
42 ETHYLBENZENE 29.9200 130.7300 -4.310E+01 7.072E-01
43 1,2-DIMETHYL BENZENE 19.0000 122.2200 -1.585E+01 5.962E-01
44 1,3-DIMETHYL BENZENE 17.2400 119.0000 -2.917E+01 6.297E-01
45 1,4-DIMETHYL BENZENE 17.9500 121.2600 -1.509E+00 6.042E-01
46 ISOPROPYLBENZENE (Cumene) 3.9300 137.1500 -3.394E+01 7.842E-01
47 DIPHENYL 182.4200 281.0800 -9.707E+01 1.106E+00
48 PHENYLETHENE 147.3600 213.8020
49 NAPHTHALENE 150.9590 223.5930 -6.880E+01 8.499E-01
50 1-METHYLNAPHTHALENE -6.482E+01 9.387E-01
51 1,2,3,4-TETRAHYDRONAPHTHALENE (Tet24.2000 167.1000
52 INDENE 163.2800 233.9700
53 PHENANTHRENE 206.9000 308.1000
Hidrocarburos con oxígeno
54 FORMALDEHYDE -117.1520 -112.9680
55 ACETALDEHYDE -166.0210 -133.3020
56 2-BUTANONE -239.0000 -151.9000 1.094E+01 3.559E-01
57 ACETONE -215.7000 -151.2000 6.301E+00 2.606E-01
58 METHANOL -200.9400 -162.2400 2.115E+01 7.092E-02
59 ETHANOL -234.9500 -167.7300 9.014E+00 2.141E-01
60 PROPANOL -255.2000 -161.7950 2.470E+00 3.325E-01
61 2-PROPANOL -272.2950 -173.3850 3.243E+01 1.885E-01
62 1-BUTANOL -274.6000 -150.6660 3.266E+00 4.180E-01
63 ISOBUTANOL -7.708E+00 4.689E-01
64 1-HEXANOL -316.5000 -135.5620
65 PHENOL -96.3993 -32.8988
66 ETHYLENE GLYCOL -392.8780 -304.4700
67 PROPYLENE GLYCOL -425.4290 -304.4830
68 ACETIC ACID -434.4250 -376.6850 4.840E+00 2.549E-01
69 BUTYRIC ACID -475.0000 -355.0000
70 BENZOIC ACID -294.1000 -210.4130
71 TEREPHTHALIC ACID -663.3310 -597.1790
72 METHYL ACETATE -408.8000 -321.5000
73 ETHYL ACETATE -444.5000 -327.4000
74 DIMETHYL TEREPHTHALATE -643.5830 -473.6460

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 Datos

75 TETRAHYDROFURAN(THF) 1.910E+01 5.162E-01

76 DIETHYL ETHER -252.0000 -122.0000 2.142E+01 3.359E-01
77 ISOPROPYL ETHER -318.8210 -121.8800
78 ETHYLENE OXIDE -7.519E+00 2.222E-01
Halocarburos
79 CARBON TETRACHLORIDE -95.8136 -60.6261 4.072E+01 2.049E-01
80 METHYL CHLORIDE -80.7512 -62.8855 1.388E+01 1.014E-01
81 ETHYL CHLORIDE -112.2600 -59.9986
82 DICHLOROMETHANE -95.3952 -68.8687
83 CHLOROFORM(CHCl3) -103.3450 -68.5339 2.400E+01 1.893E-01
84 CHLOROBENZENE -3.389E+01 5.631E-01
85 VINYLIDENE CHLORIDE(1,1-C2H2Cl2) 2.3800 25.3900
86 FREON-12(CCl2F2) -493.2940 -453.9640 3.160E+01 1.782E-01
87 FREON-22(CClF2) 1.730E+01 1.618E-01
88 FREON-11(CCl3F) 4.098E+01 1.668E-01
89 FREON-113(C2Cl3F3) 6.114E+01 2.874E-01
Gases inorgánicos
90 NITROUS OXIDE 82.0500 103.6380 2.162E+01 7.281E-02
91 OXYGEN 0.0000 0.0000 2.811E+01 -3.680E-06
92 HYDROGEN 0.0000 0.0000 2.714E+01 9.274E-03
93 NITROGEN 0.0000 0.0000 3.115E+01 -1.357E-02
94 CARBON MONOXIDE -110.5300 -137.1600 3.087E+01 -1.285E-02
95 CARBON DIOXIDE -393.5100 -394.3800 1.980E+01 7.344E-02
96 SULFUR DIOXIDE -296.8100 -300.1400 2.385E+01 6.699E-02
97 SULFUR TRIOXIDE 1.921E+01 1.374E-01
98 NITRIC OXIDE 90.2500 86.5800 2.935E+01 -9.378E-04
99 HELIUM 0.0000 0.0000 2.080E+01
100 ARGON 0.0000 0.0000 2.080E+01
101 FLUORINE 0.0000 0.0000
102 CHLORINE 0.0000 0.0000 2.693E+01 3.384E-02
103 NEON 0.0000 0.0000 2.080E+01
104 KRYPTON 0.0000 0.0000 2.080E+01
105 BROMINE 0.0000 0.0000 3.386E+01 1.125E-02
106 XENON 2.080E+01
Nitrógeno y gases con azufre
107 HYDROGEN CHLORIDE -92.3074 -95.2864 3.067E+01 -7.201E-03
108 HYDROGEN SULFIDE -20.6300 -33.2840 3.194E+01 1.436E-03
109 CARBON DISULFIDE 116.9430 66.9063 2.744E+01 8.127E-02
110 HYDRAZINE(N2H4) 9.768E+00 1.895E-01
111 HYDROGEN CYANIDE 2.186E+01 6.062E-02
Otras sustancias
112 METHYLAMINE -23.0000 32.0913
113 ETHYLAMINE -48.6599 37.2794
114 ACETONITRILE 2.048E+01 1.196E-01

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 Datos

115 METHANETHIOL -22.6000 -9.5000

116 ETHANETHIOL -46.0000 -4.5000
117 DIMETHYL SULFIDE -37.2000 7.4000
118 UREA 245.8100 -152.7160
119 SULFURIC ACID -740.5680 -653.4690
120 PHOSPHORIC ACID -1250.2200 -1106.4200
121 NITRIC ACID -133.8630 -73.4459
122 AMMONIA -45.9400 -16.4013 2.731E+01 2.383E-02
123 SODIUM HYDROXIDE -197.7570 -200.4600
124 WATER -241.8350 -228.6140 3.224E+01 1.924E-03

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 Datos

Constantes
c d

-4.55E-05 1.52E-08

Cp global J/molK

c d
1.197E-05 -1.132E-08
-6.938E-05 8.713E-09
-1.586E-04 3.215E-08
-1.108E-04 -2.822E-09
-1.846E-04 2.895E-08
-2.580E-04 5.305E-08
-2.729E-04 5.723E-08
-3.306E-04 7.633E-08
-3.119E-04 6.494E-08
-3.651E-04 7.658E-08
-4.195E-04 8.855E-08

-4.823E-04 1.031E-07
-5.288E-04 1.131E-07
-6.347E-04 1.359E-07
-7.423E-04 1.598E-07
-8.537E-04 1.850E-07

-3.031E-04 6.485E-08
-3.642E-04 8.014E-08
-2.523E-04 1.321E-08
-4.438E-04 9.366E-08

-8.348E-05 1.755E-08
-1.160E-04 2.205E-08
-1.990E-04 4.463E-08

-1.091E-04 9.098E-09

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 Datos

-2.317E-04 4.681E-08

-2.340E-04 6.335E-08
-3.337E-04 1.000E-07
-5.007E-05 1.412E-08

-3.017E-04 7.130E-08
-2.765E-04 4.911E-08
-4.811E-04 1.301E-07
-3.443E-04 7.528E-08
-3.747E-04 8.478E-08
-3.374E-04 6.820E-08
-5.087E-04 1.291E-07
-8.855E-04 2.790E-07

-6.506E-04 1.981E-07
-6.942E-04 2.016E-07

-1.900E-04 3.920E-08
-1.253E-04 2.038E-08
2.587E-05 -2.852E-08
-8.390E-05 1.373E-09
-1.855E-04 4.296E-08
6.406E-05 -9.261E-08
-2.242E-04 4.685E-08
-2.884E-04 7.231E-08

-1.753E-04 4.949E-08

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 Datos

-4.132E-04 1.454E-07
-1.035E-04 -9.357E-09

-1.256E-04 2.592E-08

-2.270E-04 8.843E-08
-3.889E-05 2.567E-09

-1.841E-04 6.657E-08
-4.522E-04 1.426E-07

-1.509E-04 4.342E-08
-1.170E-04 3.058E-08
-1.416E-04 4.146E-08
-2.420E-04 6.904E-08

-5.778E-05 1.830E-08
1.746E-05 -1.065E-08
-1.381E-05 7.645E-09
2.680E-05 -1.168E-08
2.789E-05 -1.272E-08
-5.602E-05 1.715E-08
-4.961E-05 1.328E-08
-1.176E-04 3.700E-08
9.747E-06 -4.187E-09

-3.869E-05 1.547E-08

-1.192E-05 4.534E-09

1.246E-05 -3.898E-09
2.432E-05 -1.176E-08
-7.666E-05 2.673E-08
-1.657E-04 6.025E-08
-4.961E-05 1.815E-08

-4.492E-05 3.203E-09

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 Datos

1.707E-05 -1.185E-08

1.055E-05 -3.596E-09

Page 10