Chemical Properties of Maprotiline M(HO-anthryl), diacetylated

InChI

InChI=1S/C24H27NO3/c1-17(26)25(3)16-8-13-23-14-15-24(28-18(2)27,21-11-6-4-9-19(21)23)22-12-7-5-10-20(22)23/h4-7,9-12H,8,13-16H2,1-3H3

InChI Key

PQYFNCMMKBDKQF-UHFFFAOYSA-N

Formula

C24H27NO3

SMILES

CC(=O)OC12CCC(CCCN(C)C(C)=O)(c3ccccc31)c1ccccc12

Molecular Weight¹

377.48

• 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°	239.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-190.02	kJ/mol	Joback Calculated Property
ΔfusH°	40.50	kJ/mol	Joback Calculated Property
ΔvapH°	90.02	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	4.145		Crippen Calculated Property
McVol	298.770	ml/mol	McGowan Calculated Property
Pc	1621.98	kPa	Joback Calculated Property
Inp	[3096.00; 3096.00]
Inp	3096.00		NIST
Inp	3096.00		NIST
Tboil	959.86	K	Joback Calculated Property
Tc	1197.17	K	Joback Calculated Property
Tfus	683.40	K	Joback Calculated Property
Vc	1.137	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[994.00; 1176.85]	J/mol×K	[959.86; 1197.17]
Cp,gas	994.00	J/mol×K	959.86	Joback Calculated Property
Cp,gas	1019.14	J/mol×K	999.41	Joback Calculated Property
Cp,gas	1045.87	J/mol×K	1038.96	Joback Calculated Property
Cp,gas	1074.60	J/mol×K	1078.51	Joback Calculated Property
Cp,gas	1105.74	J/mol×K	1118.07	Joback Calculated Property
Cp,gas	1139.69	J/mol×K	1157.62	Joback Calculated Property
Cp,gas	1176.85	J/mol×K	1197.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Maprotiline M(HO-anthryl), diacetylated.

Sources

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

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