|
Experimental density, ρ, and calculated (B3LYP/6-311++g**) gas phase dipole moment, μ, for the pure compounds considered in this work at 298.15 K. These properties are used for the calculation of Kirkwood correlation factor in pure and mixed fluids |
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| ρ/g cm-3 |
μ/D |
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|
|
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| MB |
1.08363 [10] |
1.99 [4] |
| EB |
1.04161 [10] |
2.10 [4] |
| PB |
1.01791 [10] |
2.19 [4] |
| BB |
0.99984 [10] |
2.14 [4] |
| PA |
1.07337 [10] |
1.69 [4] |
| HEX |
0.65498 [6] |
0.00 [this work] |
| cHEX |
0.77354 [6] |
0.30 [this work] |
| clHEX |
0.87356 [6] |
2.57 [this work] |
| HEXol |
0.81520 [6] |
1.80 [this work] |
| HEXac |
0.92201 [6] |
1.92 [this work] |
| ISOP |
0.71807 [6] |
1.33 [this work] |
|
|
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Aparicio and Alcalde PMC Physics B 2008 1:4 doi:10.1186/1754-0429-1-4 |
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