Chemical Properties of Doxepin M(Nor-HO), diacetylated, isomer # 1

InChI

InChI=1S/C22H23NO4/c1-15(24)23(3)13-7-11-19-18-9-5-4-8-17(18)14-26-22-20(19)10-6-12-21(22)27-16(2)25/h4-6,8-12H,7,13-14H2,1-3H3/b19-11-

InChI Key

KTFIZIRUAOKHNH-ODLFYWEKSA-N

Formula

C22H23NO4

SMILES

CC(=O)Oc1cccc2c1OCc1ccccc1C2=CCCN(C)C(C)=O

Molecular Weight¹

365.42

• 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	[886.96; 957.42]	J/mol×K	[958.66; 1193.60]
Cp,gas	886.96	J/mol×K	958.66	Joback Calculated Property
Cp,gas	900.61	J/mol×K	997.82	Joback Calculated Property
Cp,gas	913.35	J/mol×K	1036.97	Joback Calculated Property
Cp,gas	925.28	J/mol×K	1076.13	Joback Calculated Property
Cp,gas	936.53	J/mol×K	1115.29	Joback Calculated Property
Cp,gas	947.21	J/mol×K	1154.45	Joback Calculated Property
Cp,gas	957.42	J/mol×K	1193.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Doxepin M(Nor-HO), diacetylated, isomer # 1.

Sources

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

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