J. Serb. Chem. Soc. 65(12) (2000) UDC : NOTE New values of the polarity factor
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1 J. Serb. Chem. Soc. 65(12) (2000) UDC : JSCS 2817 Note NOTE New values of the polarity factor MILO[ D. KUKOLJAC and DU[AN K. GROZDANI] Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, P. O. Box 494, YU-11001, Belgrade, Yugoslavia (Received 30 December 1999, revised 26 April 2000) New values of the polarity factor for 96 substances are proposed. Estimation procedure is tested on the values of this factor from the original work of Halm and Stiel. 44 Keywords: polarity factor, acentric factor, vapor pressure. Halm and Stiel 44 have proposed following relation for predicting vapor pressure of a polar fluid log p 0 r = (log p 0 r ) (0) + ω(log p 0 r ) (1) + χ (log p 0 r ) (2) (1) where χ is polarity factor similar to the acentric factor for normal fluids. The factor χ is defined to be zero for normal fluids. The values of (log p 0 r ) (0), (log p 0 r ) (1), and (log p 0 r ) (2) vs. temperature are tabulated in original work. The value of (log p 0 r ) (2) was defined to be 1.0 at T r = 0.6, so that χ = log p 0 r Tr =0.6 [(log p 0 r ) (0) + ω(log p 0 r ) (1) ] Tr =0.6 (2) or χ = log p 0 r Tr = ω (3) RESULTS AND DISCUSSION Polarity factor estimated values are shown Table I. The values of T c, p c and ω used in this estimation and sources of the experimental vapor pressure data used to establish the values of χ are also included in this Table. 899
2 900 KUKOLJAC and GROZDANI] TABLE I. The values of the polarity factor Substance χ Substance χ Substance χ 1. Acetaldehyde ,4-Dimethylphenol Methyl-2-butanone Acetone ,5-Dimethylphenol Methyllbutylether Acetonitrile ,5-Dimethylphenol Methylbutyrate Ammonia ,3-Dimethylpyridine Methylformate Aniline ,4-Dimethylpyridine o-methylphenol Benzaldehyde ,6-Dimethylpyridine p-methylphenol Bromobenzene ,5-Dimethylpyridine Methylphenylether Bromoethane Dimethylsulfide Methylpropanoate Bromomethane Dipropylether Methyl-1-propanol Butanone Dodecanol Methyl-2-propanol Butylacetate Dichloromethane Methylpropylether Butylamine Ethanol Methylpyridine Butyric acide Ethanolamine Methylpyridine Butyronitrile Ethylbutylether Morpholine Capronitrile Ethylformate Nitromethane Chlorobenzene Ethylenediamine Nonanone Chlorobutane Ethyleneoxide Octanol Chloroethane Ethylpropionate Pentanol Chloroethene Ethylpropylether Pentanone Chloromethane Ethylacetate Phenol Cyclohexanone Fluorbenzene Propanol Dibutylether Fluoroethane Propionic acid m-dichlorobenzene Formaldehyde Propionitrile o-dichlorobenzene Hydrogenchloride Propylacetate ,2-Dichloropropane Hydrogenfluoride Pyridine Diethylamine Iodoethane Sulfur dioxide Diethylether Isobutylamine ,1,2,2-Tetrachloroethane Diethyldisulfide Methanoic acid Thiacyclopentane Diethylsulfide Methanol ,1,1-Trichloroethane Diisopropylamine Methylacetate Trichloromethane Dimethylamine Methylbenzoate ,1,1-Trifluoroethane Dimethylether Methyl-2-butanol Water Acetaldehyde (vapor pressure references 24/T c (K) = 461.0/p c (bar) = 55.7/ω = 0.303), 2. (9, 30, 33, 55, 62, 73, 85/508.1/47.0/0.307), 3. (30, 67/545.5/48.3/0.327), 4. (14, 19, 74, 95, 109/405.5/113.5/0.215), 5. (30, 51, 81/699.0/53.1/0.384), 6. (1, 27, 41, 51, 82/694.8/45.4/0.316), 7. (30, 51, 81, 108/670.0/45.2/0.250), 8. (56/503.9/62.3/0.229), 9. (31, 56/464.0/66.1/0.157), 10. (30, 55/536.8/42.1/0.318), 11. (54/579.0/31.4/0.417), 12. (41, 59/531.9/42.0/0.329), 13. (49, 50/628.0/52.7/0.683), 14. (66, 67/582.2/37.2/0.373), 15. (30, 66, 67/622.0/32.5/0.519), 16. (30, 81, 108/632.4/45.2/0.251), 17. (30/542.0/36.8/0.218), 18. (43, 94/460.4/52.7/0.191), 19. (30/425.0/51.5/0.122), 20. (48, 56, 60,
3 POLARITY FACTOR /416.3/67.0/0.160), 21. (15, 41, 66/629.0/39.0/0.455), 22. (23, 30/588.1/25.3/0.418), 23. (30/679.4/41.5/0.322), 24. (30/679.3/41.0/0.272), 25. ( /44.5/0.240), 26. (106/496.5/37.1/0.300), 27. (10, 32, 96/466.7/36.4/0.281), 28. (87, 101/642.0/35.0/0.306), 29. (101/557.0/39.6/0.292), 30. (78/523.1/30.2/0.360), 31. (13, 91, 102/437.7/53.1/0.302), 32. (53, 58/400.0/52.4/0.200), 33. (12, 41/707.6/42.9/0.508), 34. (12/723.1/42.9/0.404), , 41/715.6/42.9/0.562), 36. (26/655.4/37.8/0.298), 37. (26, 57, 105/647.0/37.8/0.340), 38. (45, 57, 105/623.8/37.5/0.350), 39. (26, 105/667.2/37.8/0.334), 40. (72, 101/503.0/55.3/0.191), 41. (4, 23, 66/530.6/30.3/0.371), 42. (3, 6/679.0/19.2/1.024), 43. (35, 69/510.0/63.0/0.190), 44. (6, 7, 30, 50, 68, 86/513.9/61.4/0.644), 45. (61/614.0/44.5/0.842), 46. (23/531.0/30.4/0.400), 47. (107/508.5/47.4/0.283), 48. (46/593.0/62.8/0.510), 49. (24, 37, 58, 100/469.0/71.9/0.206), 50. (79, 107/546.0/33.6/0.391), 51. (4, 23/500.2/33.7/0.336), 52. (30, 79, 99, 107/523.2/38.3/0.377), 53. (29, 90, 108/560.1/45.5/0.249), 54. (18, 98/375.3/50.2/0.216), 55. (93/408.0/65.9/0.253), 56. (39, 95/324.7/83.1/0.133), 57. (34/461.0/64.8/0.329), 58. (92/554.0/47.0/0.184), 59. (59, 91/514.3/41.0/0.368), 60. (30, 50, 51/580.0/55.0/0.349), 61. (7, 28, 40/512.6/80.9/0.566), 62. (56, 79, 107/506.8/46.9/0.324), 63. (30/692.0/36.4/0.430), 64. (21/545.0/39.5/0.496), 65. (2, 55/553.4/38.5/0.331), 66. (4, 23/512.8/33.7/0.316), 67. (107/554.4/34.8/0.382), 68. (107/487.2/60.0/0.252), 69. (17, 30, 42/697.6/50.1/0.443), 70. (17, 30, 41, 24/704.6/51.5/0.505), 71. (4, 30/645.6/42.5/0.393), 72. (79, 107/530.6/40.0/0.350), 73. (6, 16, 21/549.8/43.0/0.568), 74. (6, 11, 21, 30, 76/506.2/39.7/0.614), 75. (4/476.3/38.0/0.271), 76. (45, 57, 89/621.0/46.0/0.299), 77. (45, 88/645.0/46.5/0.296), 78. (75/618.0/54.7/0.370), 79. (30, 47, 64/588.0/63.1/0.346), 80. (2/640.0/24.8/0.543), 81. (3, 6, 7, 21, 30/652.5/28.6/0.594), 82. (6, 7, 21, 97/587.7/39.1/0.579), 83. (2, 25, 30, 55/561.0/38.3/0.344), 84. (17, 30, 42/694.2/61.3/0.438), 85. (6, 11, 16, 103, 104/508.4/47.6/0.664), 86. (30, 50, 51/612.0/54.0/0.520), 87. (30/564.4/41.8/0.313), 88. (36, 79, 107/549.4/33.3/0.390), 89. (22, 45, 46, 57, 63/620.0/56.3/0.240), 90. (20, 38, 95/430.8/78.8/0.256), 91. (61, 70, 77, 94/661.2/58.4/0.264), 92. (101/632.0/53.0/0.224), 93. (8, 77, 83, 94/545.0/43.0/0.217), 94. (86/536.4/53.7/0.218), 95. (84/346.3/37.6/0.251), 96. (5, 52, 71, 80/647.3/221.2/0.344). Acknowledgement. This work was supported by a grant from the Research Fund of Serbian and Faculty of Technology and Metallurgy of Belgrade. T temperature (K) p 0 vapor pressure (bar) p pressure (bar) Greek letters χ polarity factor ω acentric factor Subscripts c critical property r reduced property Superscripts (0) simple fluid function (1) normal fluid correction term (2) polar fluid correction term NOTATION
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