Chemical Properties of Sertraline (hydroxyketone), (-H2O), enol, acetyl

Sertraline (hydroxyketone), (-H2O), enol, acetyl

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InChI
InChI=1S/C18H12Cl2O2/c1-11(21)22-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(19)17(20)10-12/h2-10H,1H3
InChI Key
HZUSMBBZSXDOPG-UHFFFAOYSA-N
Formula
C18H12Cl2O2
SMILES
CC(=O)Oc1ccc(-c2ccc(Cl)c(Cl)c2)c2ccccc12
Molecular Weight1
331.19
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Physical Properties

Property Value Unit Source
ΔfG° 135.85 kJ/mol Joback Calculated Property
ΔfH°gas -72.88 kJ/mol Joback Calculated Property
ΔfusH° 37.10 kJ/mol Joback Calculated Property
ΔvapH° 82.43 kJ/mol Joback Calculated Property
log10WS -7.56 Crippen Calculated Property
logPoct/wat 5.739 Crippen Calculated Property
McVol 229.420 ml/mol McGowan Calculated Property
Pc 2210.37 kPa Joback Calculated Property
Inp 2600.00 NIST
Tboil 854.65 K Joback Calculated Property
Tc 1111.41 K Joback Calculated Property
Tfus 560.24 K Joback Calculated Property
Vc 0.872 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [595.98; 652.94] J/mol×K [854.65; 1111.41] Show Hide
Cp,gas 595.98 J/mol×K 854.65 Joback Calculated Property
Cp,gas 607.81 J/mol×K 897.44 Joback Calculated Property
Cp,gas 618.58 J/mol×K 940.24 Joback Calculated Property
Cp,gas 628.39 J/mol×K 983.03 Joback Calculated Property
Cp,gas 637.32 J/mol×K 1025.82 Joback Calculated Property
Cp,gas 645.48 J/mol×K 1068.62 Joback Calculated Property
Cp,gas 652.94 J/mol×K 1111.41 Joback Calculated Property
η [0.0001588; 0.0006453] Pa×s [560.24; 854.65] Show Hide
η 0.0006453 Pa×s 560.24 Joback Calculated Property
η 0.0004650 Pa×s 609.31 Joback Calculated Property
η 0.0003518 Pa×s 658.38 Joback Calculated Property
η 0.0002767 Pa×s 707.44 Joback Calculated Property
η 0.0002245 Pa×s 756.51 Joback Calculated Property
η 0.0001868 Pa×s 805.58 Joback Calculated Property
η 0.0001588 Pa×s 854.65 Joback Calculated Property

Similar Compounds

[1,1'-Binaphthalene]-3,3',4,4'-tetrol, tetra-acetate. 2,4-Diacetoxy-10-cyanoazuleno(2,1-b)pyridine. Succinic acid, 2-chloro-6-fluorophenyl 4-biphenyl ester. Succinic acid, 2-chlorophenyl 2-biphenyl ester. Succinic acid, 2-bromo-4-fluorophenyl 2-biphenyl ester. Penfluridol. Succinic acid, 3-chlorophenyl 4-biphenyl ester. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7,7-tetramethylene. Zopiclone-N-oxide. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. 3',5'-Diacetylthymidine. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester.

Find more compounds similar to Sertraline (hydroxyketone), (-H2O), enol, acetyl.

Sources

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