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EXPsample or citationrefsolutecsidsolute SMILESESABVdescriptor refconcentration (M)temp (C)temp cat. (C)chloroform % mole fractionacetonitrile % mole fractiontoluene % mole fractionTHF % mole fractionDMF % mole fractionDMSO % mole fraction
ethylene glycol % mole fractionbenzene % mole fractionmethanol % mole fractionethanol % mole fraction1-propanol % mole fraction1-butanol % mole fraction carbon tetrachloride % mole fractioncyclohexane % mole fractiondichloromethane % mole fractionN,N-dimethylformamide % mole fractionwater % mole fractiontotal check (should be 100)number of solventscatnotespredicted concentration (M) [only for 4-NB]Residualssolubility - solute mass (g)solvent mass (g)solvent density (g/ml)solute density (g/ml) - from ChemSpider predictionsolvent volume (ml)solute volume (ml)total vol. (ml)solute MWmoles solutecalculated concentration (M)- assumes no expansion or contraction upon mixingcalculated conc in moles/litersolubility mole-percentsolvent MW (g/mol)
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120A1http://onschallenge.wikispaces.com/Exp1204-fluorobenzoic acid9579O=C([O-])c1ccc(F)cc1 0.60.90.610.320.9493Absolv DB0.492-15-150.000.000.000.000.000.000.000.000100.0000000001001ethanol
3
121A2http://onschallenge.wikispaces.com/Exp1214-fluorobenzoic acid9579O=C([O-])c1ccc(F)cc1 0.60.90.610.320.949Absolv DB0.534-12-100.000.000.000.000.000.000.000.000100.0000000001001ethanol
4
121A3http://onschallenge.wikispaces.com/Exp1214-fluorobenzoic acid9579O=C([O-])c1ccc(F)cc10.60.90.610.320.949Absolv DB0.7598.5100.000.000.000.000.000.000.000.000100.0000000001001ethanol
5
121A4http://onschallenge.wikispaces.com/Exp1214-fluorobenzoic acid9579O=C([O-])c1ccc(F)cc10.60.90.610.320.949Absolv DB0.95630300.000.000.000.000.000.000.000.000100.0000000001001ethanol
6
82Ehttp://onschallenge.wikispaces.com/Exp0824-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.8823250.000.000.00100.000.000.000.000.0000.0000000001001THFno temp given - assume 23 rt0.9940.114
7
111A1http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.2-26.3-250.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile0.185-0.015
8
111A2http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.392-2.6-50.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile0.4910.099
9
111A3http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.5657.450.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile0.6980.133
10
111A4http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.73214.1150.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile0.8620.13
11
111A5http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.90817.7200.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile0.9590.051
12
111A6http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.04720.8200.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile1.0480.001
13
111A7http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.21122.3200.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile1.092-0.119
14
111A8http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.34625.1250.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile1.178-0.168
15
111A9http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.49530.9300.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile1.367-0.128
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111A10http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.61536.5350.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile1.564-0.051
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111M1http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.467-16.5-1550.8649.140.000.000.000.000.000.0000.0000000001002acetonitrile:chloroform 50:500.4850.018
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111M2http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.92917.62051.3348.670.000.000.000.000.000.0000.0000000001002acetonitrile:chloroform 50:501.0780.149
19
111M3http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.35127.73050.6649.340.000.000.000.000.000.0000.0000000001002acetonitrile:chloroform 50:501.3580.007
20
111M4http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.439-24.5-2525.4174.590.000.000.000.000.000.0000.0000000001002acetonitrile:chloroform 75:250.356-0.083
21
111M5http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.94715.41525.3674.640.000.000.000.000.000.0000.0000000001002acetonitrile:chloroform 75:251.0050.058
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111M6http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.349272525.3074.700.000.000.000.000.000.0000.0000000001002acetonitrile:chloroform 75:251.332-0.017
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111C1http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.204-10.5-10100.000.000.000.000.000.000.000.0000.0000000001001chloroform0.390.186
24
111C2http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.401-6.3-5100.000.000.000.000.000.000.000.0000.0000000001001chloroform0.4360.035
25
111C3http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.571.20100.000.000.000.000.000.000.000.0000.0000000001001chloroform0.538-0.032
26
111C4http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.72610.810100.000.000.000.000.000.000.000.0000.0000000001001chloroform0.707-0.019
27
111C5http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.90219.320100.000.000.000.000.000.000.000.0000.0000000001001chloroform0.892-0.01
28
111C6http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.05826.125100.000.000.000.000.000.000.000.0000.0000000001001chloroform1.0640.006
29
111C7http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.21932.430100.000.000.000.000.000.000.000.0000.0000000001001chloroform1.2430.024
30
111C8http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.36435.535100.000.000.000.000.000.000.000.0000.0000000001001chloroform1.337-0.027
31
111M7http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.475-22.2-2010.5289.480.000.000.000.000.000.0000.0000000001002NAnot within 10 of 25,50,750.294-0.181
32
111M8http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.91821.22010.4689.540.000.000.000.000.000.0000.0000000001002NAnot within 10 of 25,50,751.1120.194
33
111M9http://onschallenge.wikispaces.com/Exp1114-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.35225.62510.4789.530.000.000.000.000.000.0000.0000000001002NAnot within 10 of 25,50,751.244-0.108
34
1144-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.708-4.7-50.0069.0031.000.000.000.000.000.0000.0000000001002acetonitrile:toluene 75:250.597-0.111
35
1146-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.70117.21543.440.0056.560.000.000.000.000.0000.0000000001002chloroform:toluene 50:500.7-0.001
36
11411-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.668-12.6-1513.7543.1819.3123.760.000.000.000.0000.0000000001004Incorporate Later0.53-0.138
37
1148-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.661-12.5-1020.3055.0124.690.000.000.000.000.0000.0000000001003Incorporate Later0.552-0.109
38
11412-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.6981.3016.4349.6731.632.270.000.000.000.0000.0000000001004Incorporate Later0.7010.003
39
1147-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.7062.5517.5252.290.0030.190.000.000.000.0000.0000000001003Incorporate Later0.662-0.044
40
1149-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.598151526.060.0034.0039.940.000.000.000.0000.0000000001003Incorporate Later0.542-0.056
41
11410-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.58920.2200.0054.0620.6325.310.000.000.000.0000.0000000001003Incorporate Later1.0080.419
42
1143-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.704-12.2-100.0063.400.0036.600.000.000.000.0000.0000000001002NAnot within 10 of 25,50,750.556-0.148
43
1145-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.7116.31537.890.000.0062.110.000.000.000.0000.0000000001002NAnot within 10 of 25,50,750.509-0.201
44
1141-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.652-12.9-150.000.000.00100.000.000.000.000.0000.0000000001001THF0.8450.193
45
11413-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.6346.550.000.0043.9456.060.000.000.000.0000.0000000001002THF:toluene 50:500.55-0.084
46
1142-http://onschallenge.wikispaces.com/Exp1144-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.6735.6350.000.00100.000.000.000.000.000.0000.0000000001001toluene0.669-0.001
47
122T1http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.688-12.9-150.000.000.00100.000.000.000.000.0000.0000000001001THF0.8450.157
48
122T2http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.749-10.2-100.000.000.00100.000.000.000.000.0000.0000000001001THF0.8360.087
49
122T3http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.839-7.6-100.000.000.00100.000.000.000.000.0000.0000000001001THF0.83-0.009
50
122T4http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.927-0.300.000.000.00100.000.000.000.000.0000.0000000001001THF0.829-0.098
51
122T5http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.0439.3100.000.000.00100.000.000.000.000.0000.0000000001001THF0.867-0.176
52
122T6http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.15218.6200.000.000.00100.000.000.000.000.0000.0000000001001THF0.944-0.208
53
122O6http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.103-18.4-200.000.00100.000.000.000.000.000.0000.0000000001001toluene0.2330.13
54
122O5http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.227-4.2-50.000.00100.000.000.000.000.000.0000.0000000001001toluene0.217-0.01
55
122O4http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.3158.4100.000.00100.000.000.000.000.000.0000.0000000001001toluene0.281-0.034
56
122O3http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.40412.7150.000.00100.000.000.000.000.000.0000.0000000001001toluene0.319-0.085
57
122O2http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.54519.5200.000.00100.000.000.000.000.000.0000.0000000001001toluene0.398-0.147
58
122O1http://onschallenge.wikispaces.com/Exp1224-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.64134.2350.000.00100.000.000.000.000.000.0000.0000000001001toluene0.6410
59
1308-http://onschallenge.wikispaces.com/Exp1304-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.423-20.5-2024.5840.6611.2423.520.000.000.000.0000.0000000001004Incorporate Later0.4580.035
60
1306-http://onschallenge.wikispaces.com/Exp1304-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.4612.9549.530.0011.7138.760.000.000.000.0000.0000000001003Incorporate Later0.349-0.112
61
1302-http://onschallenge.wikispaces.com/Exp1304-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.6827.61046.0023.740.0030.260.000.000.000.0000.0000000001003Incorporate Later0.589-0.093
62
1307-http://onschallenge.wikispaces.com/Exp1304-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.4658.31047.5419.745.4427.270.000.000.000.0000.0000000001004Incorporate Later0.5940.129
63
1305-http://onschallenge.wikispaces.com/Exp1304-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.48413.81543.030.0019.9337.030.000.000.000.0000.0000000001003Incorporate Later0.5060.022
64
1304-http://onschallenge.wikispaces.com/Exp1304-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.6822.42059.230.0016.5224.250.000.000.000.0000.0000000001003Incorporate Later0.6990.019
65
1301-http://onschallenge.wikispaces.com/Exp1304-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.698202052.419.0210.7027.870.000.000.000.0000.0000000001004Incorporate Later0.7160.018
66
1303-http://onschallenge.wikispaces.com/Exp1304-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.69143.84547.910.008.8343.260.000.000.000.0000.0000000001003Incorporate Later1.1180.427
67
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.0472Absolv DB0.45550.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile0.6440.194
68
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.6412100.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile0.8090.169
69
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.93319200.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile0.9960.063
70
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.3526250.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile1.206-0.144
71
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.88440400.00100.000.000.000.000.000.000.0000.0000000001001acetonitrile1.695-0.189
72
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.23550.000.000.000.000.000.000.00100.0000.0000000001001benzeneTransferred from SolubilitiesSum
73
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.3212100.000.000.000.000.000.000.00100.0000.0000000001001benzeneTransferred from SolubilitiesSum
74
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.7740400.000.000.000.000.000.000.00100.0000.0000000001001benzeneTransferred from SolubilitiesSum
75
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.03550.000.000.000.000.000.000.000.0000.000010000001001carbon tetrachlorideTransferred from SolubilitiesSum
76
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.0412100.000.000.000.000.000.000.000.0000.000010000001001carbon tetrachlorideTransferred from SolubilitiesSum
77
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.1133350.000.000.000.000.000.000.000.0000.000010000001001carbon tetrachlorideTransferred from SolubilitiesSum
78
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.60155100.000.000.000.000.000.000.000.0000.0000000001001chloroform0.6-0.001
79
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.7311210100.000.000.000.000.000.000.000.0000.0000000001001chloroform0.7310
80
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.9041920100.000.000.000.000.000.000.000.0000.0000000001001chloroform0.885-0.019
81
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.2573335100.000.000.000.000.000.000.000.0000.0000000001001chloroform1.2610.004
82
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB1.6424040100.000.000.000.000.000.000.000.0000.0000000001001chloroform1.483-0.159
83
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB012100.000.000.000.000.000.000.000.0000.000001000001001cyclohexaneTransferred from SolubilitiesSum
84
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.0133350.000.000.000.000.000.000.000.0000.000001000001001cyclohexaneTransferred from SolubilitiesSum
85
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.0240400.000.000.000.000.000.000.000.0000.000001000001001cyclohexaneTransferred from SolubilitiesSum
86
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.79550.000.000.000.000.000.000.000.0000.000000100001001dichloromethaneTransferred from SolubilitiesSum
87
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB0.9312100.000.000.000.000.000.000.000.0000.000000100001001dichloromethaneTransferred from SolubilitiesSum
88
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB1.8933350.000.000.000.000.000.000.000.0000.000000100001001dichloromethaneTransferred from SolubilitiesSum
89
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB2.1940400.000.000.000.000.000.000.000.0000.000000100001001dichloromethaneTransferred from SolubilitiesSum
90
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB1.09550.000.000.000.000.000.000.000.0000.000000010001001N,N-dimethylformamideTransferred from SolubilitiesSum
91
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB1.4212100.000.000.000.000.000.000.000.0000.000000010001001N,N-dimethylformamideTransferred from SolubilitiesSum
92
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB2.2933350.000.000.000.000.000.000.000.0000.000000010001001N,N-dimethylformamideTransferred from SolubilitiesSum
93
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526c1cc(C=O)ccc1[N+](=O)[O-]1.081.4800.511.047Absolv DB2.640400.000.000.000.000.000.000.000.0000.000000010001001N,N-dimethylformamideTransferred from SolubilitiesSum
94
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.194550.000.00100.000.000.000.000.000.0000.0000000001001toluene0.2560.062
95
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.26712100.000.00100.000.000.000.000.000.0000.0000000001001toluene0.3130.046
96
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.34419200.000.00100.000.000.000.000.000.0000.0000000001001toluene0.3910.047
97
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.46726250.000.00100.000.000.000.000.000.0000.0000000001001toluene0.4930.026
98
904Maccaronehttp://showme.physics.drexel.edu/coas/usefulchem/wittig.pdf4-nitrobenzaldehyde526O=[N+]([O-])c1ccc(C=O)cc11.081.4800.511.047Absolv DB0.73740400.000.00100.000.000.000.000.000.0000.0000000001001toluene0.7650.028
99
1011-http://onschallenge.wikispaces.com/Exp1014-pyrenebutanoic acid9219586O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc30.5123230.000.000.0030.300.000.000.000.00069.7000000001002THF:ethanol 0.4347:1.000Transferred from SolubilitiesSum
100
1012R-http://onschallenge.wikispaces.com/Exp1014-pyrenebutanoic acid9219586O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc30.5323230.000.000.0030.300.000.000.000.00069.7000000001002THF:ethanol 0.4347:1.000Transferred from SolubilitiesSum
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Sheet1
Sheet2
logS vs 1/T using MP
tools