Chemical Properties of Trimipramine M(Nor-HO), diacetylated

InChI

InChI=1S/C23H28N2O3/c1-16(14-24(4)17(2)26)15-25-22-8-6-5-7-19(22)9-10-20-11-12-21(13-23(20)25)28-18(3)27/h5-8,11-13,16H,9-10,14-15H2,1-4H3

InChI Key

IMHSJSNUBJQJQK-UHFFFAOYSA-N

Formula

C23H28N2O3

SMILES

CC(=O)Oc1ccc2c(c1)N(CC(C)CN(C)C(C)=O)c1ccccc1CC2

Molecular Weight¹

380.48

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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

Property	Value	Unit	Source
ω	0.9062		Relay (1.0) Calculated Property
ΔfG°	90.42	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-446.44	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	128.78	kJ/mol	Relay (1.0) Calculated Property
IE	6.83	eV	Relay (1.0) Calculated Property
log10WS	-4.12		Relay (1.0) Calculated Property
logPoct/wat	3.963		Crippen Calculated Property
McVol	305.520	ml/mol	McGowan Calculated Property
Pc	1420.29	kPa	Relay (1.0-beta) Calculated Property
Inp	[3153.00; 3153.00]
Inp	3153.00		NIST
Inp	3153.00		NIST
Tboil	731.76	K	Relay (1.0) Calculated Property
Tc	1003.04	K	Relay (1.0) Calculated Property
Tfus	401.86	K	Relay (1.0) Calculated Property
Vc	1.096	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Trimipramine M(Nor-HO), diacetylated.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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