POTENCIALES LENNARD-JONES DETERMINADOS A PARTIR DE DATOS DE VISCOSIDAD (R.A. Svehla, NASA Tech. Rep.

R132, 1962)
Ar
He
Kr
En
Xe
Air
AsH3
BCl3
BF3
B(OCH3)3
Br2
CCl4
CF4
CHCl3
CH2Cl2
CH3Br
CH3Cl
CH3OH
CH4
CO
COS
CO2
CS2
C2H2
C2H4
C2H6
C2H5Cl
C2H5OH
C2N2
CH3OCH3
CH2CHCH3
CH3CCH
C3H6
C3H8

Substance
Argn
Helio
Kriptn
Nen
Xenn
Air
Arsine
Boron chloride
Boron fluoride
Methyl borate
Bromo
Carbon tetrachloride
Carbon tetrafluoride
Cloroformo
Methylene chloride
Methyl bromide
Methyl chloride
Metanol
Metano
Carbon monoxide
Carbonyl sulfide
Carbon dioxide
Carbon disulfide
Acetylene
Ethylene
Ethane
Ethyl chloride
Ethanol
Cyanogen
Methyl ether
Propylene
Metxylacetylene
Cyclopropane
Propane

n-C3H7OH
CH3COCH3
CH3COOCH3

n-Propyl alcohol
Acetone
Methyl acetate

,
3.542
2.551
3.655
2.820
4.047
3.711
4.145
5.127
4.198
5.503
4.296
5.947
4.662
5.389
4.898
4.118
4.182
3.626
3.758
3.690
4.130
3.941
4.483
4.033
4.163
4.443
4.898
4.630
4.361
4.307
4.678
4.761
4.807
5.118

/k, K
93.3
10.22
178.9
32.8
231.0
78.6
259.8
337.7
186.3
396.7
507.9
322.7
134.0
340.2
356.3
449.2
350
481.8
148.6
91.7
336.0
195.2
467
231.8
224.7
215.7
300
362.6
348.6
395.0
298.9
251.8
248.9
237.1

4.549
4.600
4.936

576.7
560.2
469.8

Substance
n-C4H10
N.Butano
iso-C4H10
Isobutano
C2H4OC2H5
Ethylether
CH3COOC2H3 Etylacetate
n-C5H12
n-Pentano
C(CH3)4
2,2-Dimethylpropane
C6H6
Benceno
C6H12
Ciclohexano
n-C6H14
n-Hexano
Cl2
Cloro
F2
Fluor
HBr
Hydrogen bromide
HCN
Hydrogen cyanide
HCl
Hydrogen chloride
HF
Hydrogen fluoride
HI
Hydrogen iodide
H2
Hidrgeno
H2O
Water
H2O2
Hydrogen peroxide
H2S
Hydrogen sulfide
Hg
Mercury
HgBr2
Mercuric bromide
HgCl2
Mercuric chloride
HgI2
Mercuric iodide
I2
Iodine
NH3
Ammonia
NO
Nitric oxide
NOCl
Nitrosyl chloride
N2
Nitrogen
N2O
Nitrous oxide
O2
Oxygen
PH3
Phosphine
SF6
Sulfur hexafluoride
SO2
Sulfur dioxide
SiF4
Silicon tetrafluoride
SiH4
Silicon hydride
SnBr4
Stannic bromide
UF6
Uranium hexafluoride

,
4.687
5.278
5.678
5.205
5.784
6.464
5.349
6.182
5.949
4.217
3.357
3.353
3.630
3.339
3.148
4.211
2.827
2.641
4.196
3.623
2.949
5.080
4.550
5.625
5.160
2.900
3.492
4.112
3.798
3.828
3.467
3.981
5.128
4.112
4.880
4.084
6.388
5.967

/k, K
531.4
330.1
313.8
521.3
341.1
193.4
412.3
297.1
399.3
316.0
112.6
449
569.1
344.7
330
288.7
59.7
809.1
289.3
301.1
750
686.2
750
695.6
474.2
558.3
116.7
395.3
71.4
232.4
106.7
251.5
222.1
335.4
171.9
207.6
563.7
236.8

Valores de la integral de colisin

basados en
el potencial Lennard-Jones. (Hirschfelder,

VOLMENES MOLARES EN EL PUNTO NORMAL DE

EBULLICIN.

1954).
kT/
0.30
0.35
0.40
0.45
0.50
0.55
0.60
0.65
0.70
0.75
0.80
0.85
0.90
0.95
1.00
1.05
1.10
1.15
1.20
1.25
1.30
1.35
1.40
1.45
1.50
1.55
1.60

2.662
2.476
2.318
2.184
2.066
1.966
1.877
1.798
1.729
1.667
1.612
1.562
1.517
1.476
1.439
1.406
1.375
1.346
1.320
1.296
1.273
1.253
1.233
1.215
1.198
1.182
1.167

kT/
1.65
1.70
1.75
1.80
1.85
1.90
1.95
2.00
2.1
2.2
2.3
2.4
2.5
2.6
2.7
2.8
2.9
3.0
3.1
3.2
3.3
3.4
3.5
3.6
3.7
3.8
3.9

1.153
1.140
1.128
1.116
1.105
1.094
1.084
1.075
1.057
1.041
1.026
1.012
0.9996
0.9878
0.9770
0.9672
0.9576
0.9490
0.9406
0.9328
0.9256
0.9186
0.9120
0.9058
0.8998
0.8942
0.8888

kT/
4.0
4.1
4.2
4.3
4.4
4.5
4.6
4.7
4.8
4.9
5.0
6
7
8
9
10
20
30
40
50
60
70
80
90
100
200
400

0.8836
0.8788
0.8740
0.8694
0.8652
0.8610
0.8568
0.8530
0.8492
0.8456
0.8422
0.8124
0.7896
0.7712
0.7556
0.7424
0.6640
0.6232
0.5960
0.5756
0.5596
0.5464
0.5352
0.5256
0.5130
0.4644
0.4170

Bromo
Carbono
Cloro
Hidrgeno
Iodo
Nitrgeno
Nitrgeno en aminas
primarias
Nitrgeno en aminas
secundarias
Oxgeno
Oxgeno en steres
metlicos
Oxgeno en steres
superiores
Oxgeno en cidos
Oxgeno en teres
metlicos
Oxgeno en teres
superiores
Azufre
Anillo bencnico
Anillo naftaleno

Volumen
atmico
(m3/kgatom)
27,0
14,8
24,6
3,7
37,0
15,6
10,5

H2
O2
N2
Aire
CO
CO2
COS

Volumen
molecular 103
(m3/kgmol)
14,3
25,6
31,2
29,9
30,7
34,0
51,5

12,0

SO2

44,8

7,4
9,1

NO
N2O

23,6
36,4

11,0

NH3

25,8

12,0
9,9

H2O
SH2

18,9
32,9

11,0

Br2

53,2

25,6
-15,0
-30,0

Cl2
I2

48,4
71,5

Integrales de colisin calculadas mediante el potencial de

Stockmayer
2
= (dipole moment) / 2 2
T = kT /

T /

0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1.0
1.2
1.4
1.6
1.8
2.0
2.5
3.0
3.5
4.0
5.0
6.0
7.0
8.0
9.0
10.0
12.0
14.0
16 0
18.0
20.0
25.0
30.0
35.0

0.25

0.50

0.75

1.0

1.5

2.0

2.5

4.1005
3.2626
2.8399
2.5310
2.2837
2.0838
1.9220
1.7902
1.6823
1.5929
1.4551
1.3551
1.2800
1.2219
1.1757
1.0933
1.0388
0.99963
0.96988
0.92676
0.89616
0.87272
0.85379
0.83795
0.82435
0.80184
0.78363
0.76834
0.75518
0.74364
0.71982
0.70097
0.68545

4.266
3.505
2.836
2.522
2.277
2.081
1.924
1.795
1.689
1.601
1.465
1.365
1.289
1.231
1.184
1.100
1.044
1.004
0.9732
0.9291
0.8979
0.8741
0.8549
0.8388
0.8251
0.8024
0.7840
0.7687
0.7554
0.7438
0.7200
0.7011
0.6855

4.833
3.516
2.936
2.586
2.329
2.130
1.970
1.840
1.733
1.644
1.504
1.400
1.321
1.259
1.209
1.119
1.059
1.016
0.9830
0.93G0
0.9030
0.8780
0.8580
0.8414
0.8273
0.8039
0.7852
0.7696
0.7562
0.7445
0.7204
0.7014
0.6858

5.742
3.914
3.168
2.749
2.460
2.243
2.072
1.934
1.820
1.725
1.574
1.461
1.374.
1.306
1.251
1.150
1.083
1.035
0.9991
0.9473
0.9114
0.8845
0.8632
0.8156
0.8308
0.8065
0.7872
0.7712
0.7575
0.7455
0.7211
0.7019
0.6861

6.729
4.433
3.511
3.004
2.665
2.417
2.225
2.070
1.944
1.838
1.670
1.544
1.447
1.370
1.307
1.193
1.117
1.062
1.021
0.9628
0.9230
0.8935
0.8703
0.8515
0.8356
0.8101
0.7899
0.7733
0.7592
0.7470
0.7221
0.7026
0.6867

8.624
5.570
4.529
3.640
3.187
2.862
2.614
2.417
2.258
2.124
1.913
1.754
1.630
1.532
1.451
1.304
1.204
1.133
1.079
1.005
0.9545
0.9181
0.8901
0.8678
0.8493
0.8201 .
0.7976
0.7794
0.7642
0.7512
0.7250
0.7047
0.6883

10.34
6.637
5.126
4.282
3.727
3.329
3.028
2.788
2.596
2.435
2.181
1.989
1.838
1.718
1.618
1.435
1.310
1.220
1.153
1.058
0.9955
0.9505
0.9164
0.8895
0.8676
0.8337
0.8081
0.7878
0.7711
0.7569
0.7289
0.7076
0.6905

11.89
7.618
5.874
4.895
4.249
3.785
3.435
3.156
2.933
2.746
2.451
2.228
2.053
1.912
1.795
1.576
1.428
1.319
1.236
1.121
1.044
0.9893
0.9482
0.9160
0.8901
0.8504
0.8212
0.7983
0.7797
0.7642
0.7339
0.7112
0.6932

40.0
50 0
75.0
100.0

0.67232
0.65099
0.61397
0.58870

0.6724
0.6510
0.6141
0.5889

0.6726
0.6512
0.6143
0.5894

0.6728
0.6513
0.6145
0.5990

0.6733
0.6516
0.6147
0.5903

0.6745
0.6524
0.6148
0.5901

0.6762
0.6534
0.6148
0.5895

0.6784
0.6546
0.6147
0.5885

Parmetros del potencial de Stockmayer

H2O
NH3
HCl
HBr
HI
SO2
H2S
NOCl
CHCl3
CH2Cl2
CH3Cl
CH3Br
C2H5Cl
CH3OH
C2H5OH
n-C3H7OH
I-C3H7OH
(CH3)2O
(C2H3)2O
(CH3)2CO
CH3COOCH3
CH3COOC2H5
CH3NO2

Dipole moment

debyes
1.85
1.47
1.08
0.80
0.42
1.63
0.92
1.83
1.013
1.57
1.87
1.80
2.03
1.70
1.69
1.69
1.69
1.30
1.15
2.88
1.72
1.78
2.15

2.52
3.15
3.36
3.41
4.13
4.04
3.49
3.53
5.31
4.52
3.94
4.25
4.45
3.69
4.31
4.71
4.64
4.21
5.49
4.50
5.04
5.24
4.16

/
k
K

775 1.0
358 0.7
328 0.34
417 0.14
313 0.029
347 0.42
343 0.21
690 0.4
355 0 07
483 0.2
414 0.5
382 0.4
423 0.4
417 0.5
431 0.3
495 0.2
518 0.2
432 0.19
362 0.08
549 0.60
418 0.2
499 0.16
290 2.3

Mtodo Le Bas
Comparison of Calculated and Experimental Liquid Molar Volumes
ata the Normal Boiling Point.
Compound
Methane
Propane
Heptane
Cyclohexane
Ethylene
Benzene
Fluorobenzene
Bromobenzene
Chlorobenzene
Iodobenzene
Methanol
n-Propyl alcohol
Dimethyl ether
Ethyl propyl ether
Acetone
Acetic acid
Isobutyric acid
Methyl formate
Ethyl acetate
Diethylamine
Acetonitrile
Methyl chloride
Carbon tetrachloride
Dichlorodifluoromethane
Ethyl mercaptan
Diethyl sulfide
Phosgene
Ammonia
Chlorine
Water
Hydrocloric acid
Sulfur dioxide
Average error

Error = cal - exp 100

exp

Molar volume,
cm3/g-mol
Exp. Vb Ref.
37.7
58
74.5
114
162
58
117
58
49.4
58
96.5
58
102
58
120
58
115
58
130
58
42.5
58
81.8
58
63.8
58
129
58
77.5
58
64.1
58
109
58
62.8
58
106
58
109
58
57.4
58
50.6
58
102
58
80.7
55
75.5
58
118
58
69.5
58
25.0
58
45.5
58
18.7
57
30.6
58
43.8
113

Percent error when calculated by

method of:
Tyn and Calus Schroeder Le Bas
-6.7
-7.2
-21.5
0.2
3.3
-0.7
1.8
-0.6
0.5
-1.2
1.7
1.0
-6.0
-0.8
-10
-0.1
1.6
-0.5
-0.9
-0.5
-1.0
1.6
2.1
-1.6
0.0
0.0
1.7
1.9
-0.4
-0.5
-0.5
-1.2
-13
-1.4
2.7
-0.5
2.0
-1.3
-4.5
-2.3
-0.5
-0.6
-0.6
-4.5
-2.7
-1.7
6.7
0.3
-3.7
3.5
0.0
0.3
-0.3
0.9
-0.9
2.5
3.5
2.8
2.7
10
-2.4
-0.8
3.7
-0.2
1.0
2.8
11
-0.8
-4.6
0.9
0.9
2.0
2.5
1.3
0.9
3.2
0.2
0.7
2.7
1.5
12
-2.1
7.7
8.1
3.5
12
-6.8
2.9
-7.5
0.0
-12
-3.7
1.9
3.1
3.9

Additive-volume Increments for the Calculation of Molal Volumes Vb.

Increment, cm3/g-mol
Schroeder Le Bas
Carbon
7
14.8
Hydrogen
7
3.7
Oxygen (except as noted below)
7
7.4
In methyl esters and ethers
.
9.1
In ethyl esters and ethers
.
9.9
In higher esters and ethers
.
11.0
In acids
.
12.0
Joined to S, P, N
.
8.3
Nitrogen
7
.
Doubly bonded
.
15.6
In primary amines
.
10.5
In secondary amines
.
12.0
Bromine
31.5
27
Chlorine
24.5
24.6
Fluorine
10.5
8.7
Iodine
38.5
37
Sulfur
21
25.6
Ring, three-menbered
-7
-6.0
Four-menbered
-7
-8.5
Five.menbered
-7
-11.5
Six-menbered
-7
-15.0
Naphthalene
-7
-30.0
Anthracene
-7
-47.5
Double bond between carbon atoms
7
.
Triple bond between carbon atoms
14
.
The additive - volume procedure should not be used for simple molecules. The
following approximate values are employes in estimating diffusion coefficients.