No

Alkane

nm

nH

Eorb

(kJ/mol)

−log10S

Exp.

Calc.

LOOCV

1

Methane

1

4

309.63

0.90

0.89

0.89

2

Ethane

2

6

275.17

1.36

1.40

1.42

3

Propane

3

8

252.37

1.94

1.94

1.94

4

n-Butane

4

10

249.27

2.57

2.53

2.52

5

n-Pentane

5

12

246.01

3.18

3.15

3.15

6

n-Hexane

6

14

243.72

3.84

3.82

3.81

7

n-Heptane

7

16

241.63

4.53

4.52

4.52

8

n-Octane

8

18

240.06

5.24

5.26

5.27

9

n-Nonane

9

20

238.80

5.88

6.04

6.10

10

n-Decane

10

22

237.84

6.98

6.86

6.67