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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