Chemical Properties of Sertraline (ketone), enol, acetyl

InChI

InChI=1S/C18H14Cl2O2/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/h2-6,8-10,13H,7H2,1H3/t13-/m1/s1

InChI Key

WECDGJVDWWOLEI-CYBMUJFWSA-N

Formula

C18H14Cl2O2

SMILES

CC(=O)OC1=CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

Molecular Weight¹

333.21

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.58; 693.34]	J/mol×K	[845.84; 1100.14]
Cp,gas	630.58	J/mol×K	845.84	Joback Calculated Property
Cp,gas	643.79	J/mol×K	888.22	Joback Calculated Property
Cp,gas	655.78	J/mol×K	930.61	Joback Calculated Property
Cp,gas	666.65	J/mol×K	972.99	Joback Calculated Property
Cp,gas	676.48	J/mol×K	1015.38	Joback Calculated Property
Cp,gas	685.35	J/mol×K	1057.76	Joback Calculated Property
Cp,gas	693.34	J/mol×K	1100.14	Joback Calculated Property
η	[0.0001859; 0.0007843]	Pa×s	[542.72; 845.84]
η	0.0007843	Pa×s	542.72	Joback Calculated Property
η	0.0005571	Pa×s	593.24	Joback Calculated Property
η	0.0004175	Pa×s	643.76	Joback Calculated Property
η	0.0003263	Pa×s	694.28	Joback Calculated Property
η	0.0002637	Pa×s	744.80	Joback Calculated Property
η	0.0002190	Pa×s	795.32	Joback Calculated Property
η	0.0001859	Pa×s	845.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sertraline (ketone), enol, acetyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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