Table 7. Overview of the Accuracy of SAFT-γ Mie in the Calculation of Vapor Pressures Pvap(T), Densities ρ(T,P), and Vaporization Enthalpies Δhvap(T) for Pure Lactones, Where NDs,p Is the Number of Experimental Data Points Used in the Parameter Estimation, and ND,totals,p Is the Number of Experimental Data Used to Calculate %AADsp and AADsp for System s and Property p.
| compound s | T/K range | NDs,p | ND,totals,p | %AADsPvap(T) | AADsPvap (T)/Pa | figure | ref |
|---|---|---|---|---|---|---|---|
| oxolan-2-one | 289–478 | 11 | 26 | 5.063 | 1796 | 2(a,b), 3(a,b) | (69,70) |
| oxan-2-one | 278–353 | 9 | 51 | 44.58 | 46.23 | 2(a,b) | (71) |
| oxepan-2-one | 283–353 | 9 | 16 | 7.853 | 5.722 | 2(a,b) | (72) |
| 5-methyloxolan-2-one | 308–470 | 9 | 33 | 25.17 | 1929 | 3(a,b) | (58,73) |
| 5-ethyloxolan-2-one | 283–353 | 9 | 24 | 32.58 | 41.39 | 3(a,b) | (74) |
| 5-propyloxolan-2-one | 298–363 | 7 | 14 | 22.26 | 31.59 | 3(a,b) | (74) |
| 5-butyloxolan-2-one | 293–298 | 1 | 2 | 28.76 | 0.6564 | 3(a,b) | (75) |
| 5-pentyloxolan-2-one | 296–363 | 7 | 14 | 21.01 | 6.107 | 3(a,b) | (74) |
| 5-hexyloxolan-2-one | 298–365 | 10 | 23 | 17.58 | 2.262 | 3(a,b) | (74) |
| 6-methyloxan-2-one | 283–353 | 10 | 29 | 10.09 | 4.150 | 4(a,b) | (71) |
| 6-propyloxan-2-one | 288–353 | 10 | 18 | 1.663 | 0.3405 | 4(a,b) | (71) |
| 6-butyloxan-2-one | 293–348 | 7 | 12 | 8.045 | 0.6939 | 4(a,b) | (71) |
| 6-pentyloxan-2-one | 309–358 | 10 | 23 | 30.63 | 3.206 | 4(a,b) | (71) |
| compound s | T/K range | P/MPa range | NDs,p | ND,totals,p | %AADs ρ(T, P) | AADs ρ(T,P)/(kg/m3) | figure | ref |
|---|---|---|---|---|---|---|---|---|
| oxolan-2-one | 253–473 | 0.101–35.0 | 13 | 363 | 1.021 | 10.90 | 2(c), 3(c) | (76,77) |
| oxan-2-one | 293–318 | 0.101–10.0 | 4 | 10 | 3.416 | 37.62 | 2(c) | (78),79 |
| oxepan-2-one | 293–323 | 0.100 | 3 | 7 | 4.834 | 51.40 | 2(c) | (80) |
| 5-methyloxolan-2-one | 293–453 | 0.186–0.983 | 14 | 72 | 1.257 | 11.92 | 3(c) | (73) |
| 5-butyloxolan-2-one | 273–293 | 0.101 | 0 | 2 | 1.838 | 18.09 | 3(c) | (81) |
| 5-pentyloxolan-2-one | 273–290 | 0.101 | 0 | 2 | 1.870 | 18.18 | 3(c) | (81) |
| 5-hexyloxolan-2-one | 273–294 | 0.101 | 0 | 2 | 2.109 | 20.22 | 3(c) | (81) |
| 6-methyloxan-2-one | 294 | 0.101 | 0 | 1 | 2.399 | 24.87 | 4(c) | (82) |
| compound s | T/K range | ΝDs,p | ND,totals,p | %AADs Δhvap(T) | AADs Δhvap (T)/(J/mol) | figure | ref |
|---|---|---|---|---|---|---|---|
| oxolan-2-one | 289–329 | 10 | 14 | 2.462 | 1329 | 2(d), 3(d) | (69) |
| oxan-2-one | 278–353 | 9 | 51 | 3.659 | 2095 | 2(d) | (71) |
| oxepan-2-one | 283–353 | 9 | 16 | 0.7581 | 454.7 | 2(d) | (72) |
| 5-methyloxolan-2-one | 276–350 | 10 | 22 | 2.751 | 1453 | 3(d) | (74) |
| 5-ethyloxolan-2-one | 283–353 | 9 | 24 | 4.048 | 2273 | 3(d) | (74) |
| 5-propyloxolan-2-one | 298–363 | 7 | 14 | 2.349 | 1407 | 3(d) | (74) |
| 5-butyloxolan-2-one | 298–324 | 2 | 2 | 3.159 | 2054 | 3(d) | (75) |
| 5-pentyloxolan-2-one | 296–363 | 7 | 14 | 3.400 | 2291 | 3(d) | (74) |
| 5-hexyloxolan-2-one | 298–365 | 10 | 23 | 2.141 | 1546 | 3(d) | (74) |
| 6-methyloxan-2-one | 283–353 | 10 | 29 | 3.988 | 2388 | 4(d) | (71) |
| 6-propyloxan-2-one | 288–353 | 10 | 18 | 0.6015 | 392.0 | 4(d) | (71) |
| 6-butyloxan-2-one | 293–348 | 7 | 12 | 1.865 | 1281 | 4(d) | (71) |
| 6-pentyloxan-2-one | 309–358 | 10 | 23 | 3.458 | 2441 | 4(d) | (71) |