* List of the hydration constants * ---------------------------------- * * this file is read up to the keyword END. * Comment line (* as first character) can be placed * everywhere in the file. * * format of the file is free, but first column (chemical formula) * must be separate from the hydration data by ":". Data after * the ";" are not read. * * given constants are in log unit *********************************************************************** CH3CHO : 0.08 ; Buschmann (1980) CH3CH2CHO : 0.09 ; Buschmann (1980) CH3CH2CH2CHO : -0.24 ; Buschmann (1980) CH3CH2CH2CH2CHO : -0.26 ; Sham and Joens (1995) CH3CH2CH2CH2CH2CHO : -0.31 ; Sham and Joens (1995) CH3CH(CH3)CHO : -0.29 ; Sham and Joens (1995) CH3C(CH3)(CH3)CHO : -0.64 ; Le Henaff (1968) CH2(Cl)CHO : 1.46 ; Le Henaff (1968) CH3C(Cl)(CH3)CHO : 1.19 ; Le Henaff (1968) CH3CH2CH(Cl)CHO : 1.61 ; Le Henaff (1968) CH3CH2CH2CH2CH2CH(Cl)CHO : 1.28 ; Le Henaff (1968) C(Cl)(Cl)(Cl)CHO : 4.45 ; Le Henaff (1968) CH3CH2CH2CH2CH2C(Br)(Br)CHO : 1.44 ; Le Henaff (1968) CH3CH2CH(Br)CHO : 1.12 ; Le Henaff (1968) CH2(OH)CHO : 0.95 ; Buschmann (1980) CH3CH(OH)CHO : 1.36 ; Buschmann (1980) CO(OH)CHO : 3.04 ; Tury’an (1998) CHOCHO : 2.24 ; Montoya (1995) CH(OH)(OH)CHO : 2.31 ; Montoya (1995) CHOCH2CH2CH2CHO : 0.57 ; Malik (2000) CH3COCHO : 3.14 ; Montoya (1995) c1HcHcHcHcHc1COCHO : 2.6 ; Montoya (1995) CH3COCH3 : -2.85 ; Guthrie (1978) CH3COCH2(F) : -0.78 ; Guthrie (1978) CH3COCH2(Cl) : -1.04 ; Le Henaff (1968) CH3COCH2(Br) : -1.15 ; Le Henaff (1968) *CH3COCH(Cl)(Cl) : 0.45 ; Guthrie (1975) CH2(Cl)COCH2(Cl) : 0.62 ; Guthrie (1975) CH2(Br)COCH2(Br) : 0.27 ; Buschmann (1980) *CH3COC(F)(F)(F) : 1.54 ; Buschmann (1980) *C(F)(F)(F)COC(F)(F)(F) : 6.08 ; Guthrie (1975) *CH3COCH2COC(F)(F)(F) : 1.89 ; Guthrie (1975) CH3COCO(OH) : 0.47 ; Kozlowski (1987) CH3CH2COCO(OH) : 0.23 ; Buschmann (1980) CH3CH(CH3)COCO(OH) : 0.05 ; Cooper (1975) CH3CH2CH(CH3)COCO(OH) : 0.18 ; Cooper (1975) CH3CH(CH3)CH2CH2COCO(OH) : -0.95 ; Cooper (1975) CO(OH)CH2COCO(OH) : 0.85 ; Kozlowski (1987) CO(OH)CH2CH2COCO(OH) : 0.34 ; Kozlowski (1987) CO(OH)CH2CH2CH2COCO(OH) : 0.23 ; Cooper (1975) c1HcHcHcHcHc1CH2COCO(OH) : 0.6 ; Cooper (1975) CH3CH2-O-COCOCH2CO(OH) : 0.89 ; Kozlowski (1987) CH3CH2-O-COCH2CH2COCO-O-CH2CH3 : 0.39 ; Kozlowski (1987) CH3CH2-O-COCH2COCO-O-CH2CH3 : 1.15 ; Kozlowski (1987) CO(OH)COCO(OH) : 2.00 ; Le Henaff (1968) CH3COCOCH3 : 0.22 ; Zuman (2002) CH3CH2COCOCH2CH3 : 0.01 ; Montoya (1995) CH3CH2COCOCH3 : 0.10 ; Buschmann (1982) CH3COCO-O-CH3 : 0.41 ; Buschmann (1982) CH3COCO-O-CH2CH3 : 0.41 ; Buschmann (1982) CH2(F)COCO(OH) : 2.58 ; Hurley (1979) c1HcHcHcHcHc1CHO : -2.10 ; McClelland (1983) c1HcHc(Cl)cHcHc1CHO : -1.80 ; McClelland (1983) c1HcHcHc(Cl)cHc1CHO : -1.66 ; McClelland (1983) c1HcHc(Cl)c(Cl)cHc1CHO : -1.35 ; McClelland (1983) *C(F)(F)(F)c1cHcHc(CHO)cHc1H : -1.26 ; McClelland (1983) c1HcHcHc(NO2)cHc1CHO : -0.96 ; McClelland (1983) c1HcHc(NO2)cHcHc1CHO : -0.77 ; McClelland (1983) c1HcHc(Cl)c(NO2)cHc1CHO : -0.74 ; McClelland (1983) c1Hc(NO2)cHc(NO2)cHc1CHO : 0.32 ; McClelland (1983) c1HcHc(Cl)c(CHO)c(NO2)c1H : -0.47 ; Guthrie (2000) END