Chemical Properties of Citalopram (CAS 59729-33-8)

InChI

InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3

InChI Key

WSEQXVZVJXJVFP-UHFFFAOYSA-N

Formula

C20H21FN2O

SMILES

CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21

Molecular Weight¹

324.39

CAS

59729-33-8

Other Names

• Celexa
• 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-
• 1-[3-(Dimethylamino)propyl]-1-(p-fluorophenyl)-5-phthalancarbonitrile
• Bonitrile
• LU-10-171
• Nitalapram

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• 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	[778.18; 882.05]	J/mol×K	[873.02; 1106.65]
Cp,gas	778.18	J/mol×K	873.02	Joback Calculated Property
Cp,gas	795.08	J/mol×K	911.96	Joback Calculated Property
Cp,gas	811.84	J/mol×K	950.90	Joback Calculated Property
Cp,gas	828.70	J/mol×K	989.84	Joback Calculated Property
Cp,gas	845.87	J/mol×K	1028.77	Joback Calculated Property
Cp,gas	863.58	J/mol×K	1067.71	Joback Calculated Property
Cp,gas	882.05	J/mol×K	1106.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Citalopram.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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