TUGAS 2

Phenol Coefficients
No Nama bahan pKa Log P RM Log P2
E. Thyposa

1. Fenol 10,00 1,64 27,09 2,69 1,0

2. 4-Metilfenol 10,30 2,13 32,99 4,54 2,5

3. 4-Klorofenol 9,38 2,43 31,70 5,90 3,9

4. Nipagin 8,40 1,80 44,14 3,24 1,2

5. Nipasol 8,40 1,46 39,34 2,13 5,8

6. 3-Metil asam salisilat 3,15 1,69 39,80 2,86 2,9

7. Asam salisilat 3,00 2,27 33,90 5,15 1,3

No Parameter Persamaan QSAR Persamaan SPSS

1. Log P Aktivitas = – 0,9399 Log P + 4,4591 Aktivitas = -0,940 Log P + 4,459

dengan
r = 0.195; s = 1,8721; n = 7; r = 0,195; s = 1,8721; n = 7;
Aktivitas
r2 = 3,8 % atau 0,038; F-Ratio = 0,20; r2 = 0,038

F Table = 16,26

2. RM dengan Aktivitas = 0,0609 RM + 0,4898 Aktivitas = 0,061 RM + 0,490

Aktivitas
r = 0.203; s = 1,8691; n = 7; r = 0,203; s = 1,86909; n = 7;

r2 = 4,1 % atau 0,041; F-Ratio = 0,21; r2 = 0,041

F Table: 16,26

3. pKa dengan Aktivitas = 0,074 pKa + 2,101 Aktivitas = 0,074 pKa + 2,101
Aktivitas
r = 0.132; s = 1,8920; n = 7; r = 0,132; s = 1,8920; n = 7 ;

r2 = 1,8 % atau 0,018; F-Ratio = 0,09; r2 = 0,018

F Table : 16,26
4. Log P dan Aktivitas = 0,0701 pKa – 0,9177 Log Aktivitas = 0,070 pKa – 0,918 Log P
pKa dengan P + 3,8896 + 3,890
Aktivitas
r = 0.232; s = 2,0759; n = 7; r = 0,232; s = 2,0759; n = 7;

r2 = 5,4 % atau 0,054; F-Ratio = 0,11; r2 = 0,054

F Table = 18

5. RM dan Aktivitas = 0,0828 RM + 0,1243 pKa Aktivitas = 0,083 RM + 0,124 pKa –

pKa dengan – 1,2211 1,221
Aktivitas
r = 0.292; s = 2,0409; n = 7; r = 0,292; s = 2,04094; n = 7;

r2 = 8,5% atau 0,085; F-Ratio = 0,19; r2 = 0,085

F Table : 18

6. Log P², Log Aktivitas = – 63,5149 Log P2 + Aktivitas = – 63,514 Log P2 + 16,025
P dengan 16,0258 Log P + 63,7325 Log P + 63,732
Aktivitas
r = 0.818; s = 1,2277; n = 7; r = 0,818; s = 1,2277; n = 7;

r2 = 66,9 % atau 0,669; F-Ratio = 4,04; r2 = 0,669

F Table : 18

7. Log P², Log Aktivitas = 15,9861 Log P2 – 63,3589 Aktivitas = 15,986 Log P2 – 63,357
P dan pKa Log P + 0,0078 pKa + 63,5229 Log P + 0,008 pKa + 63,522
dengan
r = 0,818; s = 1,4172; n = 7; r = 0,818; s = 1,41723; n = 7;
Aktivitas
r2 = 66,9% atau 0,669; F-Ratio = 2,02; r2 = 0,018

F Table : 29,46

Lampiran

1. Log P dengan Aktivitas

- Persamaan QSAR
 - Persamaan SPSS

Model Summaryb
Adjusted R Std. Error of the
Model R R Square Square Estimate
a
1 .195 .038 -.154 1.87214
a. Predictors: (Constant), LogP
b. Dependent Variable: Ethyposa

ANOVAa
Model Sum of Squares df Mean Square F Sig.
1 Regression .693 1 .693 .198 .675b
a
Residual Coefficients
17.525 5 3.505
Total 18.217 6 a Standardized
Residuals Statistics
Unstandardized Coefficients
a. Dependent Variable: Ethyposa Coefficients
Minimum Maximum Mean Std. Deviation N
Model
b. Predicted
Predictors:Value B
(Constant), LogP 2.1751 Std. Error Beta t Sig.
3.0868 2.6571 .33975 7
1 (Constant) 4.459 4.115 1.084 .328
Residual -1.91764 2.71317 .00000 1.70902 7
LogP -.940 2.114 -.195 -.445 .675
Std. Predicted Value -1.419 1.265 .000 1.000 7
a. Dependent Variable: Ethyposa
Std. Residual -1.024 1.449 .000 .913 7
a. Dependent Variable: Ethyposa

2. RM dengan Aktivitas
- Persamaan QSAR
 - Persamaan SPSS

Model Summaryb
Adjusted R Std. Error of the -
Model R R Square Square Estimate
a
1 .203 .041 -.151 1.86909
a. Predictors: (Constant), RM
b. Dependent Variable: Ethyposa

ANOVAa
Model Sum of Squares df Mean Square F Sig.
a
1 Regression Coefficients
.750 1 .750 .215 .663b
Standardized
Residual 17.467 5 a 3.493
Residuals Statistics
Unstandardized Coefficients Coefficients
Total 18.217 6
Minimum Maximum Mean Std. Deviation N
Model B Std. Error Beta t Sig.
a. Dependent Variable: Ethyposa
Predicted Value 2.1406 3.1797 2.6571 .35349 7
1 (Constant) .490 4.732 .104 .922
b. Predictors: (Constant), RM
Residual -1.97966 2.91285 .00000 1.70623 7
RM .061 .132 .203 .463 .663
Std. Predicted Value -1.461 1.478 .000 1.000 7
a. Dependent Variable: Ethyposa
Std. Residual -1.059 1.558 .000 .913 7
a. Dependent Variable: Ethyposa
3. pKa dengan Aktivitas

- Persamaan QSAR
- Persamaan SPSS
4. Log P dan pKa dengan Aktivitas

- Persamaan QSAR
- Persamaan SPSS
5. RM dan pKa dengan Aktivitas

- Persamaan QSAR
 - Persamaan SPSS

Model Summaryb
Adjusted R Std. Error of the
Model R R Square Square Estimate
a
1 .292 .085 -.372 2.04094
a. Predictors: (Constant), RM, pKa
b. Dependent Variable: Ethyposa

ANOVAa
Model Sum of SquaresCoefficients
df a Mean Square F Sig.
1 Regression 1.555 2 .778
Standardized .187 .837b
Residual Unstandardized
16.662Coefficients 4 Coefficients
4.165
Model Total B 18.217 Std. Error 6 Beta t Sig.
1a. Dependent
(Constant)
Variable: Ethyposa-1.221 6.467 -.189 .859
pKa (Constant), RM, pKa.124
b. Predictors: .283 .223 .440 .683
RM .083 .152 .276 .545 .615
a. Dependent Variable: Ethyposa

Residuals Statisticsa
Minimum Maximum Mean Std. Deviation N
Predicted Value 1.9578 3.4764 2.6571 .50914 7
Residual -2.27641 2.72091 .00000 1.66642 7
Std. Predicted Value -1.374 1.609 .000 1.000 7
Std. Residual -1.115 1.333 .000 .816 7
a. Dependent Variable: Ethyposa
6. Log P², Log P dengan Aktivitas

- Persamaan QSAR

- Persamaan SPSS
7. Log P², Log P dan pKa dengan Aktivitas
 - Persamaan QSAR

Model Summaryb
Adjusted R Std. Error of the
Model R R Square Square Estimate
a
1 .818 .669 .338 1.41723
a. Predictors: (Constant), LogP2, pKa, LogP
b. Dependent Variable: Ethyposa

ANOVAa
Coefficientsa
Model Sum of Squares df Mean Square F Sig.
Standardized
1 Regression 12.192 3 4.064 2.023 .289b
Unstandardized Coefficients Coefficients
Residual 6.026 3 2.009
Model B Std. Error Beta t Sig.
Total 18.217 6
1 (Constant) 63.522 25.475 2.494 .088
a. Dependent Variable: Ethyposa
pKa .008 .187 .014 .042 .969
b. Predictors: (Constant), LogP2, pKa, LogP
LogP -63.357 26.475 -13.143 -2.393 .096
LogP2 15.986 6.766 12.973 2.363 .099
a. Dependent Variable: Ethyposa

Residuals Statisticsa
Minimum Maximum Mean Std. Deviation N
Predicted Value 1.2279 5.1364 2.6571 1.42546 7
Residual -1.69668 1.27209 .00000 1.00213 7
Std. Predicted Value -1.003 1.739 .000 1.000 7
Std. Residual -1.197 .898 .000 .707 7
a. Dependent Variable: Ethyposa