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

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

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
331.20
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Physical Properties

Property Value Unit Source
ΔfusH° 38.68 kJ/mol Joback Calculated Property
IE 7.78 eV Relay (1.0) Calculated Property
log10WS -6.72 Relay (1.0) Calculated Property
logPoct/wat 5.739 Crippen Calculated Property
McVol 229.420 ml/mol McGowan Calculated Property
Inp 2600.00 NIST
Tboil 696.74 K Relay (1.0) Calculated Property
Tfus 376.80 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [593.10; 648.92] J/mol×K [836.78; 1092.40] Show Hide
Cp,gas 593.10 J/mol×K 836.78 Joback Calculated Property
Cp,gas 604.95 J/mol×K 879.38 Joback Calculated Property
Cp,gas 615.66 J/mol×K 921.99 Joback Calculated Property
Cp,gas 625.32 J/mol×K 964.59 Joback Calculated Property
Cp,gas 634.03 J/mol×K 1007.19 Joback Calculated Property
Cp,gas 641.86 J/mol×K 1049.80 Joback Calculated Property
Cp,gas 648.92 J/mol×K 1092.40 Joback Calculated Property
η [0.0001370; 0.0006712] Pa×s [530.41; 836.78] Show Hide
η 0.0006712 Pa×s 530.41 Joback Calculated Property
η 0.0004585 Pa×s 581.47 Joback Calculated Property
η 0.0003331 Pa×s 632.53 Joback Calculated Property
η 0.0002538 Pa×s 683.60 Joback Calculated Property
η 0.0002008 Pa×s 734.66 Joback Calculated Property
η 0.0001638 Pa×s 785.72 Joback Calculated Property
η 0.0001370 Pa×s 836.78 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. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),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(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Zopiclone-N-oxide. 3',5'-Diacetylthymidine.

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

Sources

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