Free Energy Contribution to Gas Chromatographic Separation of Petroselinate and Oleate Esters

Table 2

Comparison of the 𝑡_{𝑅(𝑐𝑎𝑙)} with the 𝑡_{𝑅(𝑒𝑥𝑝)} for fatty acids of different alkyl esters between temperatures 180 and 200°C, at 5°C interval.

	180°C		185°C			190°C			195°C			200°C
FAME	𝑡𝑅(cal)	𝑡𝑅(exp)	%Δ^a	𝑡𝑅(cal)	𝑡𝑅(exp)	%Δ	𝑡𝑅(cal)	𝑡𝑅(exp)	%Δ	𝑡𝑅(cal)	𝑡𝑅(exp)	%Δ	𝑡𝑅(cal)	𝑡𝑅(exp)	%Δ
16	5.09	5.14	−0.97	4.76	4.79	−0.63	4.48	4.50	−0.44	4.25	4.28	−0.70	4.09	4.10	−0.24
17	5.81	5.85	−0.68	5.34	5.36	−0.37	4.95	4.96	−0.20	4.63	4.66	−0.64	4.40	4.41	−0.23
18	6.77	6.78	−0.15	6.11	6.10	0.16	5.56	5.56	0.00	5.13	5.14	−0.19	4.80	4.80	0.00
19	8.06	8.01	0.62	7.13	7.07	0.85	6.37	6.35	0.31	5.78	5.76	0.35	5.32	5.31	0.19
20	9.77	9.64	1.35	8.48	8.35	1.56	7.43	7.33	1.36	6.61	6.56	0.76	5.99	5.95	0.67
FAEE
16	5.18	5.21	−0.58	4.80	4.84	−0.83	4.50	4.51	−0.22	4.27	4.28	−0.23	4.06	4.07	−0.25
17	5.95	5.96	−0.17	5.41	5.45	−0.73	4.99	5.00	−0.20	4.67	4.68	−0.21	4.39	4.40	−0.23
18	6.97	6.97	0.00	6.23	6.25	−0.32	5.64	5.64	0.00	5.19	5.19	0.00	4.81	4.81	0.00
19	8.34	8.30	0.48	7.30	7.29	0.14	6.49	6.47	0.31	5.87	5.85	0.34	5.35	5.34	0.19
20	10.16	10.08	0.79	8.72	8.68	0.46	7.60	7.55	0.66	6.75	6.70	0.75	6.04	6.01	0.50
FAPrE
16	5.89	5.91	−0.34	5.29	5.34	−0.94	4.99	4.98	0.20	4.65	4.65	0.00	4.37	4.38	−0.23
17	6.89	6.90	−0.14	6.07	6.12	−0.82	5.62	5.61	0.18	5.16	5.15	0.19	4.78	4.79	−0.21
18	8.22	8.21	0.12	7.10	7.16	−0.84	6.45	6.42	0.47	5.82	5.81	0.17	5.31	5.31	0.00
19	9.99	9.97	0.20	8.46	8.52	−0.70	7.54	7.49	0.67	6.68	6.65	0.45	5.99	5.98	0.17
20	12.37	12.30	0.57	10.26	10.33	−0.68	8.97	8.89	0.90	7.79	7.74	0.65	6.86	6.84	0.29
FABE
16	6.82	6.84	−0.29	6.17	6.15	0.33	5.61	5.59	0.36	5.14	5.14	0.00	4.77	4.77	0.00
17	8.12	8.14	−0.25	7.20	7.17	0.42	6.43	6.40	0.47	5.79	5.79	0.00	5.29	5.29	0.00
18	9.86	9.88	−0.20	8.57	8.53	0.47	7.50	7.46	0.54	6.63	6.62	0.15	5.95	5.96	−0.17
19	12.17	12.21	−0.33	10.37	10.31	0.58	8.90	8.85	0.56	7.72	7.71	0.13	6.81	6.81	0.00
20	15.27	15.32	−0.33	12.76	12.68	0.63	10.74	10.68	0.56	9.14	9.12	0.22	7.91	7.92	−0.13
FAPeE
16	8.11	8.17	−0.73	7.13	7.16	−0.42	6.37	6.38	−0.16	5.80	5.78	0.35	5.26	5.28	−0.38
17	9.86	9.91	−0.50	8.49	8.51	−0.24	7.44	7.44	0.00	6.64	6.61	0.45	5.93	5.94	−0.17
18	12.20	12.23	−0.25	10.29	10.31	−0.19	8.84	8.83	0.11	7.74	7.69	0.65	6.78	6.79	−0.15
19	15.32	15.34	−0.13	12.68	12.67	0.08	10.67	10.65	0.19	9.17	9.10	0.77	7.87	7.89	−0.25
20	19.48	19.51	−0.15	15.83	15.71	0.76	13.07	13.05	0.15	11.02	10.94	0.73	9.28	9.31	−0.32
FAHxE
16	9.79	9.83	−0.41	8.45	8.46	−0.12	7.41	7.41	0.00	6.61	6.60	0.15	5.92	5.93	−0.17
17	12.10	12.13	−0.25	10.23	10.32	−0.87	8.80	8.78	0.23	7.70	7.67	0.39	6.76	6.77	−0.15
18	15.19	15.21	−0.13	12.60	12.58	0.16	10.63	10.59	0.38	9.11	9.07	0.44	7.86	7.86	0.00
19	19.32	19.34	−0.10	15.73	15.71	0.13	13.02	12.97	0.39	10.95	10.90	0.46	9.26	9.28	−0.22
20	24.83	24.93	−0.40	19.86	19.87	−0.05	16.15	16.12	0.19	13.33	13.30	0.23	11.07	11.11	−0.36
FAHpE
16	11.98	12.01	−0.25	10.17	10.16	0.10	8.72	8.72	0.00	7.64	7.63	0.13	6.74	6.75	−0.15
17	15.03	15.05	−0.13	12.51	12.48	0.24	10.52	10.50	0.19	9.04	9.02	0.22	7.83	7.83	0.00
18	19.11	19.11	0.00	15.60	15.56	0.26	12.87	12.85	0.16	10.86	10.82	0.37	9.22	9.22	0.00
19	24.55	24.61	−0.24	19.69	19.69	0.00	15.96	15.96	0.00	13.22	13.18	0.30	11.01	11.04	−0.27
20	31.81	32.05	−0.75	25.11	25.18	−0.28	20.01	20.09	−0.40	16.28	16.29	−0.06	13.32	13.40	−0.60
FAOE
16	15.30	15.27	0.20	12.63	12.67	−0.32	10.71	10.68	0.28	9.14	9.15	−0.11	7.98	7.98	0.00
17	19.46	19.38	0.41	15.77	15.79	−0.13	13.13	13.07	0.46	11.00	10.99	0.09	9.42	9.40	0.21
18	25.03	24.92	0.44	19.93	19.95	−0.10	16.30	16.21	0.56	13.40	13.38	0.15	11.27	11.24	0.27
19	32.46	32.43	0.09	25.43	25.54	−0.43	20.45	20.39	0.29	16.52	16.53	−0.06	13.65	13.63	0.15
20	42.38	42.60	−0.52	32.71	33.03	−0.97	25.89	25.94	−0.19	20.58	20.69	−0.53	16.72	16.75	−0.18

^apercent different between 𝑡_𝑅(exp) and 𝑡_𝑅(cal).