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. 2021 Dec 7;9(50):17034–17048. doi: 10.1021/acssuschemeng.1c05985

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
a

Experimental dipole moments.54,61,7578

b

Experimental vapor pressure from refs (75, 7984).

c

Experimental saturated densities from refs (75, 79, 80, 82, 8487).