OH

N
H

N-(4-Hydroxy-phenyl)-acetamide

Boiling Point: 614.85 [K]

Melting Point: 483.77 [K]
Critical Temp: 891.32 [K]
Critical Pres: 51.31 [Bar]
Critical Vol: 419.50 [cm3/mol]
Gibbs Energy: -84.81 [kJ/mol]
Log P: 0.28
MR: 40.25 [cm3/mol]
Henry's Law: 10.58
Heat of Form: -261.44 [kJ/mol]

C8H9NO2
Exact Mass: 151.06
Mol. Wt.: 151.16
m/e:
C, 63.56; H, 6.00; N, 9.27; O, 21.17 SIFAT FISIKA
ChemNMR H-1 Estimation

6.71
5.0
OH
7.47
O

6.71
N
2.02 H
8.0 7.47

Estimation Quality: blue = good, magenta = medium, red = rough

8 7 6 5 4 3 2 1 0
PPM

Protocol of the H-1 NMR Prediction:

Node Shift Base + Inc. Comment (ppm rel. to TMS)

NH 8.0 8.00 sec. amide

CH 7.47 7.26 1-benzene
0.38 1 -NC(=O)C
-0.17 1 -O
CH 6.71 7.26 1-benzene
-0.02 1 -NC(=O)C
-0.53 1 -O
CH 7.47 7.26 1-benzene
0.38 1 -NC(=O)C
-0.17 1 -O
CH 6.71 7.26 1-benzene
-0.02 1 -NC(=O)C
-0.53 1 -O
OH 5.0 5.00 aromatic C-OH
CH3 2.02 0.86 methyl
1.16 1 alpha -C(=O)N
ChemNMR C-13 Estimation

115.9
OH
121.8
O
152.9
168.2
115.9
N 133.4
17.6 H 121.8

Estimation Quality: blue = good, magenta = medium, red = rough

180 160 140 120 100 80 60 40 20 0

PPM

Protocol of the C-13 NMR Prediction:

Node Shift Base + Inc. Comment (ppm rel. to TMS)

C 168.2 165.0 1-amide

7.7 1 -C
-4.5 1 -1:C*C*C*C*C*C*1 from N-amide
C 133.4 128.5 1-benzene
12.3 1 -N-C(=O)-C
-7.4 1 -O
CH 121.8 128.5 1-benzene
-8.1 1 -N-C(=O)-C
1.4 1 -O
CH 115.9 128.5 1-benzene
0.2 1 -N-C(=O)-C
-12.8 1 -O
CH 121.8 128.5 1-benzene
-8.1 1 -N-C(=O)-C
1.4 1 -O
CH 115.9 128.5 1-benzene
0.2 1 -N-C(=O)-C
-12.8 1 -O
C 152.9 128.5 1-benzene
-4.4 1 -N-C(=O)-C
28.8 1 -O
CH3 17.6 -2.3 aliphatic
22.5 1 alpha -C(=O)-N
-2.6 1 gamma -1:C*C*C*C*C*C*1