A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | |
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1 | ID | solvent | solute | solute density g/cc | solute MW g | solute MP C | miscible M | Temp C | Conc. M (Temp) | K-constant | Adj. Conc. M - 25C | Source | Notes | solvent | Average Molar Concentration at 25C | AE | AE | SE | SE | ||||
2 | 0.5 | 1,2-dichloroethane | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.3620 | 3528.579079 | 0.362 | ONSC - Matthew | 1,2-dichloroethane | 0.362 | 0 | 0 | 0 | 0 | |||||
3 | 1 | 1-butanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 20.5 | 0.6290 | 2750.59451 | 0.7245181357 | ONSC - Sam | 1-butanol | 0.543 | 0.1250422768 | 0.1812590678 | 0.01563557099 | 0.03285484967 | |||||
4 | 2 | 1-butanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 19.5 | 0.5809 | 2800.429665 | 0.6930209424 | Seidell | 1-butanol | 0.593 | 0.06756008407 | 0.0998412497 | 0.004564364959 | 0.009968275142 | |||||
5 | 3 | 1-butanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.9746 | 2512.240617 | 0.8961321887 | Desai | 1-butanol | 0.771 | 0.06519167885 | 0.1249084331 | 0.004249954992 | 0.01560211667 | |||||
6 | 4 | 1-octanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 20 | 0.4502 | 3086.144252 | 0.5371295993 | ONSC - Lizzie | not using any bioloom data | 1-octanol | 0.537 | 0 | 0 | 0 | 0 | ||||
7 | 5 | 1-pentanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 20 | 0.6194 | 2749.966187 | 0.7249242577 | ONSC - Sam | 1-pentanol | 0.725 | 0 | 0 | 0 | 0 | |||||
8 | 6 | 1-propanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 20.5 | 0.7992 | 2496.711793 | 0.908629714 | ONSC - Lizzie | 1-propanol | 0.724 | 0.09891167047 | 0.1850685237 | 0.009783518555 | 0.03425035846 | |||||
9 | 7 | 1-propanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 19.5 | 0.9051 | 2335.994165 | 1.048669181 | Seidell | 1-propanol | 0.894 | 0.06926485271 | 0.1545947971 | 0.004797619822 | 0.02389955129 | |||||
10 | 8 | 1-propanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 1.0829 | 2389.496636 | 0.9998045828 | Desai | 1-propanol | 0.986 | 0.006169855693 | 0.01410342335 | 0.00003806711928 | 0.0001989065502 | |||||
11 | 9 | acetone | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25.5 | 1.2730 | 2132.061011 | 1.257850316 | ONSC - Lacey | acetone | 1.129 | 0.04700140169 | 0.1290228666 | 0.002209131761 | 0.0166469001 | |||||
12 | 10 | acetone | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 1.5142 | 1998.97793 | 1.416369952 | Desai | acetone | 1.337 | 0.02500952441 | 0.07925981814 | 0.000625476311 | 0.006282118771 | |||||
13 | 11 | acetonitrile | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 22.5 | 0.2360 | 3884.724691 | 0.2634880316 | ONSC - Mark | acetonitrile | 0.979 | -0.5701265224 | -0.7157480683 | 0.3250442515 | 0.5122952972 | |||||
14 | 11.1 | acetonitrile | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 24 | 0.2910 | 3726.210762 | 0.3035001383 | ONSC - Matthew | acetonitrile | 0.661 | -0.338120991 | -0.3576192357 | 0.1143258045 | 0.1278915178 | |||||
15 | 11.2 | acetonitrile | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 24 | 0.2750 | 3788.826711 | 0.2870156261 | ONSC - Matthew | acetonitrile | 0.285 | 0.003566995448 | 0.0023476941 | 0.00001272345652 | 0.000005511667589 | |||||
16 | 11.5 | benzene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.3310 | 3628.958782 | 0.331 | ONSC - Mark | benzene | 0.307 | 0.03244647937 | 0.02382807852 | 0.001052774024 | 0.0005677773261 | |||||
17 | 12 | benzene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 22.5 | 0.2530 | 3809.137679 | 0.2818632088 | ONSC - Mark | benzene | 0.300 | -0.02702439087 | -0.01809640282 | 0.000730317702 | 0.0003274797949 | |||||
18 | 13 | benzene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.3372 | 3748.583748 | 0.2975041661 | Desai | benzene | 0.303 | -0.008602378971 | -0.005951625567 | 0.00007400092396 | 0.00003542184689 | |||||
19 | 14 | carbon tetrachloride | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 26 | 0.1467 | 4599.121181 | 0.1393317509 | Seidell | carbon tetrachloride | 0.139 | 0 | 0 | 0 | 0 | |||||
20 | 15 | carbon tetrachloride | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.1182 | 4783.528926 | 0.1182013704 | Seidell | carbon tetrachloride | 0.118 | 0 | 0 | 0 | 0 | |||||
21 | 16 | carbon tetrachloride | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.1116 | 5036.652389 | 0.09431459916 | Desai | carbon tetrachloride | 0.094 | 0 | 0 | 0 | 0 | |||||
22 | 17 | chlorobenzene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.3553 | 3687.676673 | 0.3141119772 | Desai | chlorobenzene | 0.314 | 0 | 0 | 0 | 0 | |||||
23 | 17.5 | chloroform | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 1.0160 | 2371.479715 | 1.016 | ONSC - David | chloroform | 0.336 | 0.480048127 | 0.6796080605 | 0.2304462043 | 0.4618671158 | |||||
24 | 18 | chloroform | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 23 | 0.8250 | 2540.452384 | 0.8738656558 | ONSC - David | chloroform | 0.483 | 0.2572290259 | 0.3905669352 | 0.06616677175 | 0.1525425309 | |||||
25 | 19 | chloroform | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 1.2904 | 2103.415549 | 1.2904 | ONSC - Stephanie | chloroform | 0.718 | 0.2547581441 | 0.5726615536 | 0.06490171197 | 0.3279412549 | |||||
26 | 20 | chloroform | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.8166 | 2616.443203 | 0.8166026104 | Seidell | chloroform | 0.862 | -0.02359526432 | -0.04559343826 | 0.0005567364985 | 0.002078761613 | |||||
27 | 21 | chloroform | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.8825 | 2627.876013 | 0.8083183455 | Desai | chloroform | 0.961 | -0.07515781841 | -0.1527189768 | 0.005648697668 | 0.02332308588 | |||||
28 | 22 | cyclohexane | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 26 | 0.0293 | 6428.243249 | 0.02726258364 | ONSC - Stephanie | cyclohexane | 0.027 | 0 | 0 | 0 | 0 | |||||
29 | 22.5 | cyclohexanone | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 1.4370 | 1982.764413 | 1.437 | ONSC - Matthew | cyclohexanone | 1.437 | 0 | 0 | 0 | 0 | |||||
30 | 23 | diethyl ether | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 23 | 0.5367 | 3010.581891 | 0.5745754106 | ONSC - David | diethyl ether | 0.575 | 0 | 0 | 0 | 0 | |||||
31 | 24 | ethanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 20.5 | 1.0400 | 2217.507809 | 1.165554065 | ONSC - Lacey | ethanol | 0.803 | 0.1620646097 | 0.3630119844 | 0.02626493773 | 0.1317777008 | |||||
32 | 25 | ethanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 21.5 | 1.0300 | 2255.385087 | 1.126837331 | ONSC - Mark | ethanol | 0.866 | 0.1142200452 | 0.2605914529 | 0.01304621873 | 0.06790790534 | |||||
33 | 26 | ethanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 19.5 | 1.2225 | 2021.139032 | 1.388650431 | Seidell | ethanol | 1.139 | 0.08625095393 | 0.250126983 | 0.007439227054 | 0.06256350762 | |||||
34 | 27 | ethanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 20 | 1.0843 | 2159.984757 | 1.226911163 | Mitscherlich | ethanol | 1.097 | 0.04880223208 | 0.1304054827 | 0.002381657856 | 0.01700558992 | |||||
35 | 28 | ethanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 1.2170 | 2253.501702 | 1.128731713 | Desai | ethanol | 1.207 | -0.02923776169 | -0.07860522777 | 0.0008548467089 | 0.006178781833 | |||||
36 | 29 | ethyl acetate | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25.5 | 0.7870 | 2674.684157 | 0.7752682547 | ONSC - Lacey | ethyl acetate | 0.775 | 0 | 0 | 0 | 0 | |||||
37 | 29.5 | hexane | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 23 | 0.0395 | 5863.58773 | 0.04511052521 | ONSC - Stephanie | hexane | 0.045 | 0 | 0 | 0 | 0 | |||||
38 | 30 | m-xylene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.2315 | 4186.689694 | 0.2012793699 | Desai | m-xylene | 0.201 | 0 | 0 | 0 | 0 | |||||
39 | 31 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 23 | 1.3000 | 2043.213599 | 1.361578484 | ONSC - David | methanol | 0.867 | 0.1961747437 | 0.4948802008 | 0.03848453008 | 0.2449064131 | |||||
40 | 32 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 22 | 1.3900 | 1945.677442 | 1.485326234 | ONSC - Sozit | methanol | 0.919 | 0.2086122981 | 0.5665504215 | 0.04351909093 | 0.3209793801 | |||||
41 | 33 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 22 | 1.2700 | 2043.18331 | 1.361615266 | ONSC - Sozit | methanol | 1.021 | 0.1248507659 | 0.3401969389 | 0.01558771376 | 0.1157339572 | |||||
42 | 34 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 22 | 1.2800 | 2034.713019 | 1.371940422 | ONSC - Sozit | methanol | 1.016 | 0.1302647233 | 0.3555266786 | 0.01696889814 | 0.1263992192 | |||||
43 | 35 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 1.3050 | 2090.800741 | 1.305 | ONSC - Jianbo | methanol | 1.073 | 0.08517261758 | 0.2323997494 | 0.007254374785 | 0.05400964352 | |||||
44 | 36 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 22 | 1.3460 | 1980.41588 | 1.440013081 | ONSC - Sozit | methanol | 1.094 | 0.1194632683 | 0.346300598 | 0.01427147248 | 0.1199241042 | |||||
45 | 37 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 1.3480 | 2054.451383 | 1.348 | ONSC - Evan | methanol | 1.111 | 0.08408334695 | 0.2372750045 | 0.007070009234 | 0.05629942774 | |||||
46 | 38 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 1.3370 | 2063.63848 | 1.337 | ONSC - Evan | methanol | 1.107 | 0.08208113673 | 0.2302481145 | 0.006737313008 | 0.05301419423 | |||||
47 | 39 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 21.5 | 1.3100 | 1997.292262 | 1.418500924 | ONSC - Mark | methanol | 1.121 | 0.1020343883 | 0.2970113649 | 0.01041101639 | 0.08821575089 | |||||
48 | 40 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 24 | 1.2737 | 2091.550917 | 1.304127167 | ONSC - Matthew | methanol | 1.135 | 0.06033115281 | 0.1691456499 | 0.003639847999 | 0.02861025088 | |||||
49 | 41 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 19.5 | 1.5197 | 1793.259802 | 1.701604187 | Seidell | methanol | 1.206 | 0.1494254937 | 0.4953660594 | 0.02232797816 | 0.2453875328 | |||||
50 | 42 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 1.3956 | 2093.988569 | 1.30129498 | Desai | methanol | 1.303 | -0.0005245634593 | -0.001572721362 | 0.0000002751668228 | 0.000002473452483 | |||||
51 | 43 | methanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 22 | 1.3820 | 1951.910975 | 1.477091456 | ONSC - Sozit | methanol | 1.401 | 0.02296705227 | 0.07608436385 | 0.0005274854899 | 0.005788830422 | |||||
52 | 44 | nitrobenzene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.4801 | 3337.011558 | 0.4294468146 | Desai | nitrobenzene | 0.429 | 0 | 0 | 0 | 0 | |||||
53 | 45 | pentachloroethane | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.3742 | 3491.438993 | 0.3741917669 | Seidell | pentachloroethane | 0.374 | 0 | 0 | 0 | 0 | |||||
54 | 46 | propyl acetate | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25.5 | 0.6188 | 2945.989473 | 0.6086476417 | ONSC - Lizzie | propyl acetate | 0.609 | 0 | 0 | 0 | 0 | |||||
55 | 47 | tetrachloroethane | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.7464 | 2717.296516 | 0.7463572246 | Seidell | tetrachloroethane | 0.746 | 0 | 0 | 0 | 0 | |||||
56 | 48 | tetrachloroethylene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.1722 | 4361.408251 | 0.1722362826 | Seidell | tetrachloroethylene | 0.172 | 0 | 0 | 0 | 0 | |||||
57 | 48.5 | toluene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.2450 | 3966.294404 | 0.245 | ONSC - Mark | toluene | 0.443 | -0.2572967403 | -0.1980602872 | 0.06620161258 | 0.03922787737 | |||||
58 | 49 | toluene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 23 | 0.2150 | 4010.886476 | 0.2354474614 | ONSC - David | toluene | 0.350 | -0.1718764288 | -0.1143127808 | 0.02954150677 | 0.01306741185 | |||||
59 | 50 | toluene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 22.5 | 0.2570 | 3792.091354 | 0.2861811543 | ONSC - Mark | toluene | 0.235 | 0.08609792023 | 0.05146492977 | 0.007412851867 | 0.002648638996 | |||||
60 | 51 | toluene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.2783 | 3972.212802 | 0.2437101862 | Desai | toluene | 0.253 | -0.01553335945 | -0.00887451425 | 0.0002412852558 | 0.00007875700317 | |||||
61 | 52 | trichloroethylene | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.4080 | 3394.55343 | 0.407963587 | Seidell | trichloroethylene | 0.408 | 0 | 0 | 0 | 0 | |||||
62 | 53 | trifluoroethanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 24 | 0.1600 | 4388.496501 | 0.1681250456 | ONSC - Evan | trifluoroethanol | 0.168 | 0 | 0 | 0 | 0 | |||||
63 | 54 | water | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.0033 | 8795.839666 | 0.0033 | Seidell | water | 0.2202 | -1.824393034 | -0.2169454646 | 3.328409943 | 0.04706533463 | |||||
64 | 55 | water | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.0041 | 8552.458858 | 0.0041 | Seidell | water | 0.1992 | -1.686567454 | -0.1951284293 | 2.844509778 | 0.03807510393 | |||||
65 | 56 | water | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.0033 | 8795.839666 | 0.0033 | Yalkowsky | water | 0.1690 | -1.709413698 | -0.1657159293 | 2.92209519 | 0.02746176923 | |||||
66 | 57 | water | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.0033 | 8795.839666 | 0.0033 | Yalkowsky | water | 0.1400 | -1.62760633 | -0.1366974966 | 2.649102366 | 0.01868620559 | |||||
67 | 58 | water | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.0035 | 8729.865506 | 0.0035 | Yalkowsky | water | 0.1047 | -1.475722447 | -0.1011623524 | 2.177756741 | 0.01023382153 | |||||
68 | 59 | water | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.0039 | 8608.532405 | 0.0039 | Yalkowsky | water | 0.0747 | -1.282175053 | -0.07078607907 | 1.643972867 | 0.005010668991 | |||||
69 | 60 | water | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 0.0033 | 8795.839666 | 0.0033 | Wang | water | 0.0241 | -0.8635595158 | -0.0208031307 | 0.7457350374 | 0.0004327702468 | |||||
70 | 61 | water | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 28 | 0.0049 | 8677.691567 | 0.003666712337 | Desai | water | 0.0035 | 0.01455782219 | 0.0001208732949 | 0.0002119301869 | 0.00000001461035341 | |||||
71 | 62 | 2-butanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 23.8 | 0.6790 | 2781.082358 | 0.7050830081 | ONSC - Lizzie | 2-butanol | 0.705 | 0 | 0 | 0 | 0 | |||||
72 | 63 | 2-propanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 24.3 | 0.9490 | 2426.495669 | 0.9673510352 | ONSC - Lacey | 2-propanol | 0.967 | 0 | 0 | 0 | 0 | |||||
73 | 64 | 2-pentanol | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 23.8 | 0.8920 | 2479.737937 | 0.922489655 | ONSC - Sam | 2-pentanol | 0.922 | 0 | 0 | 0 | 0 | |||||
74 | 64 | THF | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 24 | 2.3290 | 1423.326593 | 2.366718703 | ONSC - Stephanie | THF | 2.367 | 0 | 0 | 0 | 0 | |||||
75 | 65 | DMSO | cinnamic acid | 1.247 | 148.052429 | 133 | 8.422691937 | 25 | 8.4227 | NA | 8.422691937 | ONSC - Stephanie | miscible | DMSO | 8.423 | 0 | 0 | 0 | 0 | ||||
76 | AAE | -0.1159037711 | 0.06661331339 | 0.2365248879 | 0.04993610633 | ||||||||||||||||||
77 | sd | 0.4650671867 | 0.4476359042 | 0.4863382443 | 0.2234638815 | ||||||||||||||||||
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