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Table 2 H content in model compounds by proton NMR

From: A 1H NMR method for the estimation of hydrogen content for all petroleum products

No.

Name of the compound

%H, by NMRa

%H, theoretical

%Rel Err

H at d1 = 5 s/10 s/40 s/60 s

Scan = 16

1

1,2,4-Trichlorobenzene, Spectrochem, 99.5 %

1.51

1.67

−9.58

1.32/1.4/1.66/1.67b

2

1,2-Dichlorobenzene, Spectrochem, 99.5 %

2.55

2.74

−10.58

2.24/2.34/2.68/2.77b

3

Furfuraldehyde, freshly distilled

3.90

4.20

−7.14

3.42/3.54/4.00/4.20b

4

2-Methylnaphthalene, Aldrich, 98 %

6.94

7.09

−2.11

 

5

Toluene, Merck, 99.8 %

8.70

8.70

0.00

 

6

4-(Decyloxy)benzoic acid, Aldrich, 98 %

8.91

9.08

−1.98

 

7

Tetralin, Merck, 98 %

8.94

9.15

−2.30

9.10/8.97/8.95/8.95c

8

Dioxane, Fluka, 99.99 %

9.13

9.15

−0.22

 

9

Ethylbenzene, Aldrich, 99 %

8.84

9.49

−6.85

8.37/8.52/9.16/9.47b

10

Mesitylene, Aldrich, >99 %

10.18

10.06

1.19

 

11

Propylbenzene, Merck, >98 %

10.09

10.06

0.30

9.73/9.97/10.12/10.12b

12

2-(2-Ethoxyethoxy)ethanol, 98 %

10.25

10.52

−2.57

 

13

Octylphenol, Aldrich, 98 %

10.51

10.75

−2.23

 

14

Tricyclo[5.2.1.0]decane, Aldrich, 98 %

10.90

11.84

−7.94

 

15

2,4-Dimethyl-1,3-pentadiene, Aldrich, 98 %

12.46

12.58

−0.95

 

16

2,5-Dimethyl-2,4-hexadiene, Aldrich, >96 %

13.15

12.81

2.65

 

17

2-Ethylhexanol, Aldrich, 99 %

13.85

13.93

−0.57

14.60/13.86/13.87/13.88d

18

Pentylcyclohexane, Koch-Light Lab Ltd., >99 %

14.55

14.29

1.82

 

19

2,4,4-Trimethyl-1-pentene, Aldrich, 99 %

14.00

14.37

−2.59

14.30/14.20/14.05/14.07c

20

Pentacosane, Aldrich, 99 %

15.00

14.86

0.95

 

21

Octadecane, Aldrich, 99 %

15.25

15.05

1.33

 

22

Dodecane, Aldrich, >99 %

15.44

15.39

0.32

16.64/15.77/15.41/15.41d

23

Decane, Aldrich, >99 %

15.73

15.59

0.90

 

24

Nonane, Aldrich, >99 %

15.89

15.72

1.02

 

25

2,2,4-Trimethylpentane, SDH, >99 %

16.01

15.88

0.82

16.30/16.08/16.03/16.03d

  1. All the samples were recorded in CDCl3 using HMDSO as internal reference, the peak of which is fixed at 0.07 ppm
  2. ad1 = 20 s, scan = 16
  3. Measured T1 for the compound protons are btoo high, ccomparable with HMDSO, and cless than that of HMDSO