Chemical Properties of Protriptyline, N-acetyl- (CAS 23047-28-1)

InChI

InChI=1S/C21H23NO/c1-16(23)22(2)15-7-12-21-19-10-5-3-8-17(19)13-14-18-9-4-6-11-20(18)21/h3-6,8-11,13-14,21H,7,12,15H2,1-2H3

InChI Key

SKZTVWHSICONPY-UHFFFAOYSA-N

Formula

C21H23NO

SMILES

CC(=O)N(C)CCCC1c2ccccc2C=Cc2ccccc21

Molecular Weight¹

305.41

CAS

23047-28-1

Other Names

• Protriptyline, acetylated

• 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	[763.62; 849.61]	J/mol×K	[815.41; 1045.12]
Cp,gas	763.62	J/mol×K	815.41	Joback Calculated Property
Cp,gas	780.44	J/mol×K	853.69	Joback Calculated Property
Cp,gas	796.09	J/mol×K	891.98	Joback Calculated Property
Cp,gas	810.71	J/mol×K	930.26	Joback Calculated Property
Cp,gas	824.42	J/mol×K	968.55	Joback Calculated Property
Cp,gas	837.35	J/mol×K	1006.83	Joback Calculated Property
Cp,gas	849.61	J/mol×K	1045.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Protriptyline, N-acetyl-.

Sources

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

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