S.N.

CAS NO

Descriptors

LogBCFexp

LogBCFpre

µ

IP

EA

χ

η

S

ω

Equation (8)

Equation (9)

Equation

(10)

Equation (11)

Equation (12)

Equation (13)

Equation (14)

1

92-52-4

0

5.557

1.982

3.770

1.788

0.280

3.975

2.64

2.77

2.74

2.42

2.47

2.48

2.55

2.37

2

2051-62-9

2.005

5.618

2.184

3.901

1.717

0.291

4.432

2.77

3.00

3.03

2.80

2.80

2.82

2.79

2.71

3

13029-08-8

3.141

5.809

2.427

4.118

1.691

0.296

5.014

3.38

3.72

3.77

3.77

3.74

3.74

3.65

3.69

4

16605-91-7

2.667

5.863

2.361

4.112

1.751

0.286

4.828

4.11

3.92

3.95

3.89

3.86

3.87

3.86

3.86

5

25569-80-6

3.442

5.893

2.395

4.144

1.749

0.286

4.909

3.80

4.04

4.09

4.03

3.99

4.00

4.04

4.08

6

33284-50-3

2.076

5.793

2.363

4.078

1.715

0.292

4.848

3.55

3.66

3.67

3.64

3.63

3.64

3.55

3.52

7

34883-43-7

2.713

5.774

2.367

4.071

1.704

0.294

4.863

3.57

3.59

3.62

3.65

3.62

3.62

3.53

3.57

8

34883-39-1

0.789

5.892

2.407

4.150

1.743

0.287

4.941

3.89

4.03

4.00

4.12

4.14

4.14

4.12

4.08

9

34883-41-5

2.414

5.951

2.428

4.190

1.762

0.284

4.982

3.78

4.26

4.27

4.35

4.33

4.34

4.37

4.41

10

2050-68-2

0

5.677

2.369

4.023

1.654

0.302

4.893

3.28

3.22

3.18

3.23

3.28

3.28

3.06

2.95

11

37680-65-2

1.770

6.048

1.907

3.978

2.071

0.241

3.820

4.11

4.62

4.60

4.08

4.08

4.07

4.15

4.10

12

7012-37-5

1.295

5.828

2.537

4.183

1.646

0.304

5.315

4.20

3.79

3.78

4.04

4.05

4.04

3.84

3.87

13

15862-07-4

2.200

5.92

2.535

4.228

1.693

0.295

5.279

4.26

4.14

4.15

4.37

4.35

4.35

4.34

4.40

14

16606-02-3

1.168

5.927

2.581

4.254

1.673

0.299

5.409

4.23

4.17

4.14

4.37

4.39

4.39

4.26

4.27

15

38444-93-8

3.668

6.233

1.998

4.116

2.118

0.236

3.999

4.23

5.33a

5.35a

4.84

4.79

4.77

4.69

4.76a

16

41464-39-5

2.875

6.174

1.960

4.067

2.107

0.237

3.925

4.84

5.10

5.10

4.52

4.49

4.48

4.44

4.43

17

2437-79-8

2.024

6.138

2.203

4.171

1.968

0.254

4.420

4.85

4.97

4.94

4.75

4.74

4.74

4.80

4.79

18

70362-47-9

2.845

6.121

2.192

4.157

1.965

0.255

4.397

5.00

4.90

4.91

4.68

4.64

4.65

4.68

4.70

19

41464-40-8

1.376

6.12

2.189

4.155

1.966

0.254

4.391

4.84

4.90

4.86

4.67

4.68

4.68

4.76

4.72

20

35693-99-3

0.409

6.122

2.265

4.194

1.929

0.259

4.559

4.63

4.91

4.83

4.77

4.80

4.81

4.86

4.79

21

15968-05-5

0.011

6.194

1.812

4.003

2.191

0.228

3.657

3.85

5.18a

5.08a

4.41

4.46

4.42

4.19

4.08

22

52663-58-8

2.050

6.072

2.295

4.184

1.889

0.265

4.634

4.60

4.72

4.70

4.62

4.61

4.62

4.69

4.69

23

32598-11-1

2.204

6.039

2.727

4.383

1.656

0.302

5.800

4.77

4.59

4.58

4.95

4.93

4.93

4.86

4.97

24

32598-13-1

2.542

5.937

2.687

4.312

1.625

0.308

5.721

4.59

4.20

4.22

4.54

4.51

4.50

4.32

4.43

25

38380-02-8

2.311

6.164

2.363

4.264

1.901

0.263

4.782

5.38

5.06

5.05

5.03

5.01

5.02

5.10

5.13

26

68194-07-0

1.611

6.266

2.266

4.266

2.000

0.250

4.550

5.00

5.45

5.40

5.21

5.21

5.22

5.17

5.14

27

41464-51-1

2.648

6.216

2.334

4.275

1.941

0.258

4.708

5.43

5.26

5.25

5.11

5.09

5.10

5.10

5.12

28

38380-01-7

1.309

6.194

2.350

4.272

1.922

0.260

4.748

5.00

5.18

5.13

5.05

5.06

5.08

5.11

5.07

29

37680-73-2

1.437

5.971

2.084

4.028

1.944

0.257

4.173

5.40

4.33

4.31a

4.01a

4.02a

4.03a

4.16a

4.10a

30

32598-14-4

3.152

6.025

2.801

4.413

1.612

0.310

6.041

5.00

4.54a

4.56

4.98

4.95

4.93

4.84

5.02

31

74472-35-8

1.993

6.222

2.395

4.309

1.914

0.261

4.850

5.00

5.28

5.25

5.28

5.27

5.28

5.35

5.38

32

31508-00-6

1.282

6.148

2.504

4.326

1.822

0.274

5.136

5.00

5.00

4.96

5.07

5.08

5.10

5.19

5.17

33

57465-28-8

1.412

6.062

2.826

4.444

1.618

0.309

6.103

5.81

4.68a

4.64a

5.15

5.15

5.13

5.02a

5.14a

34

38380-07-3

3.269

6.309

2.429

4.369

1.940

0.258

4.920

5.77

5.61

5.61

5.55

5.51

5.52

5.54

5.60

35

38411-22-2

1.453

6.222

2.130

4.176

2.046

0.244

4.262

5.43

5.28

5.23

4.89

4.90

4.90

4.86

4.80

36

35694-06-5

1.928

6.331

2.360

4.346

1.986

0.252

4.755

5.88

5.70

5.65

5.62

5.61

5.61

5.56

5.59

37

35065-28-2

1.997

6.325

2.260

4.293

2.033

0.246

4.533

5.39

5.67

5.63

5.48

5.47

5.46

5.38

5.40

38

52712-04-6

2.049

6.256

2.455

4.356

1.901

0.263

4.991

5.81

5.41

5.38

5.47

5.46

5.46

5.53

5.57