Table 2.

List of the experimental and calculated diffusion coefficients (10⁻⁹m²s⁻¹) for three solvent at various temperatures

No	Solvent*	Temp (expt)	D (expt)	Temp (MD)	D (calc)	R2	Ref
1	water	235.50	-	235.47	1.059±0.001	0.999±0.000
2	water	242.50	0.1870				47
3	water	248.00	-	247.96	1.374±0.001	0.999±0.000
4	water	260.50	-	260.49	1.734±0.009	0.998±0.000
5	water	273.15	1.1290	273.16	2.085±0.014	0.998±0.000	45
6	water	283.15	1.5360				45
7	water	285.50		285.49	2.717±0.020	0.998±0.000
8	water	298.15	2.2990	298.13	2.984±0.005	1.000±0.000	46
9	water	303.15	2.5970				46
10	water	308.15	2.8950				46
11	water	310.50		310.45	3.667±0.016	0.999±0.000
12	water	318.15	3.6010				46
13	water	323.00		322.85	3.667±0.012	0.999±0.000
14	water	323.15	3.9830				46
15	water	329.15	4.4440				46
16	water	333.15	4.7720				45
17	water	335.50		335.42	4.629±0.008	0.999±0.000
18	water	343.15	5.6460				45
19	water	348.00		347.87	5.056±0.014	1.000±0.000
20	water	360.50		360.43	5.527±0.014	0.999±0.000
21	water	363.15	7.5780				45
22	water	373.15	8.6230	373.04	6.268±0.007	1.000±0.000	45
23	water	400.00		400.00	8.073±0.056	0.999±0.000
24	water	403.20	12.8000				20
25	cyclohexane	288.15	1.1700	288.15	0.259±0.002	0.991±0.001	46
26	cyclohexane	298.15	1.4240	298.24	0.289±0.002	0.992±0.001	46
27	cyclohexane	308.15	1.6940	308.15	0.340±0.003	0.992±0.001	46
28	cyclohexane	318.15	2.0100	318.16	0.456±0.001	0.995±0.000	46
29	cyclohexane	328.15	2.3520	328.17	0.496±0.005	0.991±0.000	46
30	DMSO	298.15	0.7300	298.21	0.358±0.003	0.993±0.000	46
31	DMSO	308.15	0.8890	308.12	0.412±0.003	0.994±0.001	46
32	DMSO	318.15	1.0690	318.16	0.472±0.006	0.989±0.002	46
33	DMSO	328.15	1.2640	328.11	0.525±0.001	0.997±0.000	46

^*DMSO – dimethyl sulfoxide