Table 1 The data set and the corresponding experimental and predicted t_R values by MLR and ANN methods.

m1

Dichlorodifluoromethane

1.35

1.50

1.52

m44

p-Xylene

23.54

22.69

22.8

m2

Carbon disulfide

4.11

2.71

2.67

m45

m-Xylene

23.54

22.69

22.6

m3

Allyl chloride

4.11

6.57

6.57

m46

o-Xylene^a

25.16

22.66

22.5

m4

Methylene chloride

4.40

3.93

4.12

m47

Styrene

25.3

23.09

22.9

m5

1,1-Dichloroethene

4.57

6.75

6.79

m48

Bromoform^b

26.23

26.19

26.2

m6

Acetone

4.57

3.66

4.22

m49

Isopropylbenzene (Cumene)

26.37

27.00

26.76

m7

trans-1,2-Dichloroethene

4.57

8.77

8.76

m50

cis-1,4-Dichloro-2-butene

27.12

27.18

27.39

m8

Acrylonitrile

5.00

4.52

4.80

m51

Trichlorofluoromethane^a

2.42

6.04

5.75

m9

1,1-Dichloroethane

6.14

8.62

8.16

m52

1,1,2,2-Tetrachloroethane

27.29

25.7

25.79

m10

Vinyl acetate

6.43

11.47

11.50

m53

Bromobenzene

27.46

26.85

26.92

m11

2,2-Dichloropropane

8.10

12.42

12.61

m54

1,2,3-Trichloropropane^a

27.55

27.46

26.61

m12

Chloromethane

1.49

-0.34

-0.12

m55

n-Propylbenzene

27.58

27.92

27.64

m13

cis-1,2-Dichloroethene^a

8.25

9.82

9.86

m56

2-Chlorotoluene

28.19

27.88

27.96

m14

Propionitrile

8.51

5.61

5.99

m57

trans-1,4-Dichloro-2-butene

28.26

26.64

26.75

m15

Chloroform

9.01

7.78

7.50

m58

1,3,5-Trimethylbenzene

28.31

26.62

28.48

m16

Methacrylonitrile

9.19

8.47

8.74

m59

4-Chlorotoluene

28.33

27.85

27.94

m17

1,1,1-Trichloroethane^a

10.18

13.58

12.60

m60

Pentachloroethane

29.41

28.41

28.17

m18

Carbon tetrachloride

11.02

11.75

11.23

m61

1,2,4-Trimethylbenzene^a

29.47

26.75

26.61

m19

1,1-Dichloropropene

11.50

14.4

14.29

m62

Acrolein

3.19

3.33

3.44

m20

Benzene^a

1.56

1.70

1.84

m63

sec-Butylbenzene

30.25

31.85

31.32

m21

Vinyl Chloride

12.09

11.39

11.53

m64

tert-Butylbenzene

30.59

30.14

29.86

m22

1,2-Dichloroethane

14.03

13.84

13.67

m65

p-Isopropyltoluene^a

30.59

31.10

30.85

m23

Trichloroethene

14.51

15.14

15.43

m66

1,3-Dichlorobenzene

30.56

31.78

31.94

m24

1,2-Dichloropropane

15.39

16.45

16.45

m67

1,4-Dichlorobenzene

31.22

32.65

32.88

m25

Dibromomethane

15.43

12.66

12.21

m68

Benzyl chloride

32.00

28.35

28.52

m26

Methyl methacrylate^a

15.50

15.79

15.69

m69

n-Butylbenzene

32.23

32.68

32.35

m27

1,4-Dioxane

16.17

15.46

15.43

m70

1,2-Dichlorobenzene

32.31

32.00

32.17

m28

2-Chloroethyl vinyl ether

17.32

15.02

15.92

m71

1,2-Dibromo-3-chloropropane^a

35.30

33.29

33.39

m29

4-Methyl-2-pentanone

17.47

16.13

16.81

m72

1,2,4-Trichlorobenzene

38.19

40.76

4102

m30

trans-1,3-Dichloropropene

2.19

2.08

1.94

m73

Iodomethane

3.56

6.13

5.83

m31

Bromomethane

18.29

18.63

18.53

m74

Hexachlorobutadiene^b

38.57

-

-

m32

Toluene

19.38

15.38

15.90

m75

Naphthalene^a

39.05

33.39

33.04

m33

cis-1,3-Dichloropropene

19.59

19.34

19.50

m76

1,2,3-Trichlorobenzene

40.01

23.49

40.8

m34

Ethyl methacrylate^a

20.01

24.52

24.70

m77

1,4-Difluorobenzene^a

13.26

13.68

13.6

m35

2-Hexanone

20.30

21.03

21.24

m78

Chlorobenzene-d5

23.10

23.49

23.28

m36

Tetrachloroethene

20.26

19.88

19.62

m79

1,4-Dichlorobenzene-d4

31.16

32.65

32.88

m37

1,3-Dichloropropane^a

20.51

16.58

16.67

m80

4-Bromofluorobenzene

27.83

25.93

26.08

m38

Dibromochloromethane

21.19

21.94

21.62

m81

1,2-Dichlorobenzene-d4^a

32.30

32.00

32.11

m39

1,2-Dibromoethane

21.52

20.89

20.21

m82

Dichloroethane-d4

12.08

8.62

8.76

m40

Chloroethane

2.21

2.83

3.03

m83

Acetonitrile^a

4.11

3.23

4.00

m41

Chlorobenzene

23.17

23.52

23.61

m84

Toluene-d8

18.27

18.63

18.53

m42

1,1,1,2-Tetrachloroethane

23.36

22.88

22.81

m85

Fluorobenzene

13.00

14.04

14.11

m43

Ethylbenzene

23.38

23.26

23.06