Chemical Properties of APRINDINE, M(N-DESALKYL-)

InChI

InChI=1S/C15H15N/c1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15/h1-9,15-16H,10-11H2

InChI Key

MHVHCDLCLNXADJ-UHFFFAOYSA-N

Formula

C15H15N

SMILES

c1ccc(NC2Cc3ccccc3C2)cc1

Molecular Weight¹

209.29

• 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°	440.75	kJ/mol	Joback Calculated Property
ΔfH°gas	234.93	kJ/mol	Joback Calculated Property
ΔfusH°	25.53	kJ/mol	Joback Calculated Property
ΔvapH°	60.55	kJ/mol	Joback Calculated Property
log10WS	-3.90		Crippen Calculated Property
logPoct/wat	3.266		Crippen Calculated Property
McVol	173.810	ml/mol	McGowan Calculated Property
Pc	2865.80	kPa	Joback Calculated Property
Inp	[1920.00; 1920.00]
Inp	1920.00		NIST
Inp	1920.00		NIST
Tboil	657.85	K	Joback Calculated Property
Tc	908.22	K	Joback Calculated Property
Tfus	394.77	K	Joback Calculated Property
Vc	0.651	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[459.84; 546.65]	J/mol×K	[657.85; 908.22]
Cp,gas	459.84	J/mol×K	657.85	Joback Calculated Property
Cp,gas	477.52	J/mol×K	699.58	Joback Calculated Property
Cp,gas	493.74	J/mol×K	741.31	Joback Calculated Property
Cp,gas	508.63	J/mol×K	783.03	Joback Calculated Property
Cp,gas	522.33	J/mol×K	824.76	Joback Calculated Property
Cp,gas	534.95	J/mol×K	866.49	Joback Calculated Property
Cp,gas	546.65	J/mol×K	908.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to APRINDINE, M(N-DESALKYL-).

Sources

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

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