Chemical Properties of Citalopram, nor, acetyl

InChI

InChI=1S/C21H21FN2O2/c1-15(25)24(2)11-3-10-21(18-5-7-19(22)8-6-18)20-9-4-16(13-23)12-17(20)14-26-21/h4-9,12H,3,10-11,14H2,1-2H3

InChI Key

XSYWUOFETHDSCD-UHFFFAOYSA-N

Formula

C21H21FN2O2

SMILES

CC(=O)N(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21

Molecular Weight¹

352.40

• 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).
• 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	[851.69; 963.97]	J/mol×K	[949.77; 1187.01]
Cp,gas	851.69	J/mol×K	949.77	Joback Calculated Property
Cp,gas	869.03	J/mol×K	989.31	Joback Calculated Property
Cp,gas	886.61	J/mol×K	1028.85	Joback Calculated Property
Cp,gas	904.66	J/mol×K	1068.39	Joback Calculated Property
Cp,gas	923.41	J/mol×K	1107.93	Joback Calculated Property
Cp,gas	943.11	J/mol×K	1147.47	Joback Calculated Property
Cp,gas	963.97	J/mol×K	1187.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Citalopram, nor, acetyl.

Sources

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

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