Table 2. Polar Soft-SAFT Molecular Parameters for HFCs, HFOs, and HCFOs Studied in This Work.
Compound | m | σ (Å) | ε/kB (K) | μ × 10–30 (C m)a | xp | AADPb (%) | AADρc (%) | T range (K) |
---|---|---|---|---|---|---|---|---|
HFCs | ||||||||
R41 | 1.371 | 3.400 | 180.3 | 6.17427 | 0.50 | 1.494 | 0.763 | 200–280 |
R32 | 1.376 | 3.506 | 164.5 | 6.59790 | 0.75 | 0.565 | 0.255 | 200–316 |
R23 | 1.397 | 3.610 | 147.9 | 5.50047 | 0.90 | 1.327 | 0.155 | 200–270 |
R161 | 1.577 | 3.693 | 232.3 | 6.47014 | 0.33 | 1.374 | 0.414 | 200–340 |
R152a | 1.662 | 3.754 | 202.3 | 7.54522 | 0.50 | 0.993 | 0.792 | 200–356 |
R134a | 1.813 | 3.770 | 169.5 | 6.86475 | 0.70 | 1.443 | 0.389 | 200–344 |
R125 | 1.887 | 3.790 | 165.1 | 5.21360 | 0.90 | 1.618 | 0.274 | 200–310 |
R245fa | 2.479 | 3.675 | 197.1 | 5.16690 | 0.80 | 1.593 | 0.596 | 230–395 |
R236fa | 2.056 | 4.012 | 172.4 | 6.61124 | 0.90 | 2.410 | 0.554 | 270–370 |
R227ea | 2.131 | 4.033 | 190.7 | 4.85669 | 1.00 | 4.224 | 0.260 | 230–345 |
HFOs | ||||||||
R1123 | 1.527 | 3.760 | 175.3 | 5.73730 | 0.80 | 2.963 | 0.199 | 230–300 |
R1243zf | 1.904 | 3.880 | 170.0 | 8.16890 | 0.50 | 1.092 | 0.295 | 270–345 |
R1234yf | 1.740 | 4.082 | 191.6 | 6.70790 | 0.70 | 1.150 | 0.314 | 250–331 |
R1234ze(E) | 2.044 | 3.821 | 204.0 | 4.80330 | 0.75 | 3.016 | 0.555 | 250–351 |
R1225ye(Z) | 2.077 | 3.845 | 172.4 | 6.03750 | 0.80 | 1.018 | 0.260 | 250–355 |
R1336mzz(Z) | 1.806 | 4.430 | 195.6 | 10.6406 | 0.60 | 3.287 | 0.565 | 325–415 |
HCFOs | ||||||||
R1233zd(E) | 2.331 | 3.819 | 232.6 | 3.81190 | 0.80 | 2.936 | 0.506 | 250–400 |
R1224yd(Z) | 2.278 | 3.899 | 202.4 | 5.63720 | 0.85 | 1.358 | 0.237 | 280–375 |