LEMBAR KERJA PERCOBAAN 1

No. Gambar struktur 2D dan nama IUPAC Parameter fisika kimia Struktur 3D yang telah diminisasi
1  Boiling Point: 614,85 [K]
 Melting Point: 483,77 [K]
 Critical Temp: 891,32 [K]
 Critical Pres: 51,31 [Bar]
 Critical Vol: 419,5 [cm3/mol]
 Gibbs Energy: -84,81 [kJ/mol]
 Log P: 0,55
Nama IUPAC:  MR: 40,25 [cm3/mol]
N-(4-hydroxyphenyl)acetamide  Henry's Law: 10,58
 Heat of Form: -261,44 [kJ/mol]
 tPSA: 49.33
 CLogP: 0.494
 CMR: 4.1737
 LogS: -1.058
 pKa: 9.759
2  Boiling Point: 1135,37
 Melting Point: 970,62
 Critical Temp: 1021,68
 Critical Pres: 82,2
 Critical Vol: 706,5 [cm3/mol]
 Gibbs Energy: -606,34 [kJ/mol]
 Log P: 0,35
 MR: 76,51 [cm3/mol]
 Henry's Law: 25,3
 Heat of Form: -900,69 [kJ/mol]
 tPSA: 127.45
Nama IUPAC:
 CLogP: 1.50375
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-
 CMR: 7.4397
chromen-4-one
 LogS: -3.151
 pKa: 12.535, 6.871, 10.882,
7.747, 16.684
3  Boiling Point: 1065,54
 Melting Point: 761,41
 Critical Temp: 982,7
 Critical Pres: 22,5
 Critical Vol: 1035,5 [cm3/mol]
 Gibbs Energy: -285,14 [kJ/mol]
Nama IUPAC:
 Log P: 2,56
(1E,6E)-1,7-bis(4-hydroxy-3-
methoxyphenyl)hepta-1,6-diene-3,5-dione  MR: 105,79 [cm3/mol]
 Henry's Law: 19,54
 Heat of Form: -636,43 [kJ/mol]
 tPSA: 93.06
 CLogP: 2.2506
 CMR: 10.615
 LogS: -4.197
 pKa: 8.863,8.863
4  Henry's Law: 7,14
 tPSA: 88.34
 CLogP: 0.670201
 CMR: 8.6512
 LogS: -2.613
 pKa: 8.565

Nama IUPAC:
(E)-N-(2-(((5-((dimethylamino)methyl)furan-
2-yl)methyl)thio)ethyl)-N'-methyl-2-
nitroethene-1,1-diamine
5 
Nama IUPAC:
(R)-2-amino-N-((2S,5R,6S)-2-
(hydroxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-
azabicyclo[3.2.0]heptan-6-yl)-2-(4-
hydroxyphenyl)acetamide
Boiling Point: 1094,63 [K]
 Melting Point: 938,45 [K]
 Critical Temp: 1092,06 [K]
 Critical Pres: 32,99 [Bar]
 Critical Vol: 890,5 [cm3/mol]
 Gibbs Energy: 38,38 [kJ/mol]
 Log P: -0,54
 MR: 91,43 [cm3/mol]
 Henry's Law: 27,94
 Heat of Form: -455,03 [kJ/mol]
 tPSA: 115.89
 CLogP: 0.100319
 CMR: 9.2618