Chemical Properties of Maprotiline M(tri-HO), triacetylated

InChI

InChI=1S/C26H29NO6/c1-15(28)27(4)11-5-9-26-10-8-21(20-7-6-18(12-22(20)26)32-16(2)29)25-23(26)13-19(14-24(25)31)33-17(3)30/h6-7,12-14,21,31H,5,8-11H2,1-4H3

InChI Key

HLYOUXWTOSSKQS-UHFFFAOYSA-N

Formula

C26H29NO6

SMILES

CC(=O)Oc1ccc2c(c1)C1(CCCN(C)C(C)=O)CCC2c2c(O)cc(OC(C)=O)cc21

Molecular Weight¹

451.51

• 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

Property	Value	Unit	Source
ΔfG°	-146.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.59	kJ/mol	Joback Calculated Property
ΔfusH°	59.77	kJ/mol	Joback Calculated Property
ΔvapH°	119.12	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	4.027		Crippen Calculated Property
McVol	340.260	ml/mol	McGowan Calculated Property
Pc	1531.86	kPa	Joback Calculated Property
Inp	[3200.00; 3200.00]
Inp	3200.00		NIST
Inp	3200.00		NIST
Tboil	1172.25	K	Joback Calculated Property
Tc	1435.18	K	Joback Calculated Property
Tfus	890.96	K	Joback Calculated Property
Vc	1.242	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1251.36; 1501.24]	J/mol×K	[1172.25; 1435.18]
Cp,gas	1251.36	J/mol×K	1172.25	Joback Calculated Property
Cp,gas	1284.66	J/mol×K	1216.07	Joback Calculated Property
Cp,gas	1320.73	J/mol×K	1259.89	Joback Calculated Property
Cp,gas	1360.00	J/mol×K	1303.72	Joback Calculated Property
Cp,gas	1402.90	J/mol×K	1347.54	Joback Calculated Property
Cp,gas	1449.83	J/mol×K	1391.36	Joback Calculated Property
Cp,gas	1501.24	J/mol×K	1435.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Maprotiline M(tri-HO), triacetylated.

Sources

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

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