Species with data from:

Estrada, E.; Gutierrez, Y., Modeling chromatographic parameters by a novel graph theoretical sub-structural approach, J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0 .

80 matching species were found.

For each matching species the following will be displayed:

• Chemical name
• Chemical formula

Click on the name to see more data.

1. 1-Hexanol (C₆H₁₄O)
2. 1-Butanol, 3-methyl- (C₅H₁₂O)
3. 1-Butanol (C₄H₁₀O)
4. 1-Pentanol (C₅H₁₂O)
5. Ethyl Acetate (C₄H₈O₂)
6. Butanoic acid, ethyl ester (C₆H₁₂O₂)
7. Hexanoic acid, ethyl ester (C₈H₁₆O₂)
8. 2-Heptanone (C₇H₁₄O)
9. 2-Pentanone (C₅H₁₀O)
10. Acetic acid, hexyl ester (C₈H₁₆O₂)
11. Acetic acid, butyl ester (C₆H₁₂O₂)
12. 3-Octanol (C₈H₁₈O)
13. 2-Hexanone (C₆H₁₂O)
14. 3-Octanone (C₈H₁₆O)
15. 2-Octanone (C₈H₁₆O)
16. Propanoic acid, 2-methyl-, ethyl ester (C₆H₁₂O₂)
17. Propanoic acid, ethyl ester (C₅H₁₀O₂)
18. Butanoic acid, 3-methyl-, ethyl ester (C₇H₁₄O₂)
19. Hexanoic acid, methyl ester (C₇H₁₄O₂)
20. n-Propyl acetate (C₅H₁₀O₂)
21. Butanoic acid, methyl ester (C₅H₁₀O₂)
22. Isobutyl acetate (C₆H₁₂O₂)
23. 2-Pentanol (C₅H₁₂O)
24. Acetic acid, pentyl ester (C₇H₁₄O₂)
25. 3-Pentanone (C₅H₁₀O)
26. Methyl Isobutyl Ketone (C₆H₁₂O)
27. Butanoic acid, butyl ester (C₈H₁₆O₂)
28. 3-Hexanone (C₆H₁₂O)
29. Amylene hydrate (C₅H₁₂O)
30. Methyl propionate (C₄H₈O₂)
31. 2-Butanone, 3-methyl- (C₅H₁₀O)
32. Butanoic acid, propyl ester (C₇H₁₄O₂)
33. 3-Hexanol (C₆H₁₄O)
34. Propanoic acid, butyl ester (C₇H₁₄O₂)
35. 1-Pentanol, 4-methyl- (C₆H₁₄O)
36. 3-Heptanone (C₇H₁₄O)
37. Methyl isovalerate (C₆H₁₂O₂)
38. 4-Heptanone (C₇H₁₄O)
39. 2-Butanone, 3,3-dimethyl- (C₆H₁₂O)
40. Methyl isobutyrate (C₅H₁₀O₂)
41. Propanoic acid, propyl ester (C₆H₁₂O₂)
42. 3-Pentanone, 2,4-dimethyl- (C₇H₁₄O)
43. 1-Pentanol, 3-methyl- (C₆H₁₄O)
44. 2-Butanol, 3-methyl- (C₅H₁₂O)
45. Butanoic acid, 2-methylpropyl ester (C₈H₁₆O₂)
46. 2-Pentanone, 3-methyl- (C₆H₁₂O)
47. 2-Pentanol, 2-methyl- (C₆H₁₄O)
48. 2-Pentanol, 4-methyl- (C₆H₁₄O)
49. Propanoic acid, 2-methyl-, 2-methylpropyl ester (C₈H₁₆O₂)
50. 1-Pentanol, 2-methyl- (C₆H₁₄O)
51. Isopropyl butyrate (C₇H₁₄O₂)
52. 2-Hexanone, 5-methyl- (C₇H₁₄O)
53. 3-Pentanone, 2-methyl- (C₆H₁₂O)
54. Propanoic acid, 2-methylpropyl ester (C₇H₁₄O₂)
55. 4-Heptanol (C₇H₁₆O)
56. Propanoic acid, pentyl ester (C₈H₁₆O₂)
57. 4-Heptanone, 2,6-dimethyl- (C₉H₁₈O)
58. 3-Pentanol, 2-methyl- (C₆H₁₄O)
59. 1-Butanol, 2-ethyl- (C₆H₁₄O)
60. 3-Pentanol, 3-ethyl- (C₇H₁₆O)
61. 3-Pentanol, 2,4-dimethyl- (C₇H₁₆O)
62. 2-Hexanol, 2-methyl- (C₇H₁₆O)
63. sec-Butyl acetate (C₆H₁₂O₂)
64. 2-Heptanol, 2-methyl- (C₈H₁₈O)
65. 4-Octanol (C₈H₁₈O)
66. 3-Pentanone, 2,2,4,4-tetramethyl- (C₉H₁₈O)
67. 1-Butanol, 3,3-dimethyl- (C₆H₁₄O)
68. 2-Heptanol, 6-methyl- (C₈H₁₈O)
69. 3-Hexanone, 2-methyl- (C₇H₁₄O)
70. 2-Pentanol, 2,4-dimethyl- (C₇H₁₆O)
71. 3-Hexanone, 5-methyl- (C₇H₁₄O)
72. 2,2,4-Trimethyl-3-pentanol (C₈H₁₈O)
73. Acetic acid, 2-ethylbutyl ester (C₈H₁₆O₂)
74. 3-Pentanol, 2,3-dimethyl- (C₇H₁₆O)
75. 2,2-Dimethyl-3-heptanone (C₉H₁₈O)
76. 4-Methyl-2-pentyl acetate (C₈H₁₆O₂)
77. 3-Hexanol, 3,5-dimethyl- (C₈H₁₈O)
78. 3-Hexanol, 5-methyl- (C₇H₁₆O)
79. 3-Hexanol, 4-ethyl- (C₈H₁₈O)
80. 3-Heptanol, 3,6-dimethyl- (C₉H₂₀O)

© 2026 by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

Copyright for NIST Standard Reference Data is governed by the Standard Reference Data Act.