Chemical Properties of Bamipine, N-desalkyl, hydroxy, acetylated

InChI

InChI=1S/C17H17NO3/c1-13(19)18(12-15-6-4-3-5-7-15)16-8-10-17(11-9-16)21-14(2)20/h3-11H,12H2,1-2H3

InChI Key

WICIDZZWMSJMKS-UHFFFAOYSA-N

Formula

C17H17NO3

SMILES

CC(=O)Oc1ccc(N(Cc2ccccc2)C(C)=O)cc1

Molecular Weight¹

283.32

• ω : Acentric Factor.
• 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).
• 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	0.7314		Relay (1.0) Calculated Property
ΔfG°	55.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.89	kJ/mol	Joback Calculated Property
ΔvapH°	98.07	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-3.37		Relay (1.0) Calculated Property
logPoct/wat	3.165		Crippen Calculated Property
McVol	221.860	ml/mol	McGowan Calculated Property
Pc	2276.24	kPa	Joback Calculated Property
Inp	[2340.00; 2340.00]
Inp	2340.00		NIST
Inp	2340.00		NIST
Tboil	647.88	K	Relay (1.0) Calculated Property
Tc	906.02	K	Relay (1.0) Calculated Property
Tfus	369.38	K	Relay (1.0) Calculated Property
Vc	0.799	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.63; 695.53]	J/mol×K	[789.30; 1020.92]
Cp,gas	626.63	J/mol×K	789.30	Joback Calculated Property
Cp,gas	640.95	J/mol×K	827.90	Joback Calculated Property
Cp,gas	654.06	J/mol×K	866.51	Joback Calculated Property
Cp,gas	666.00	J/mol×K	905.11	Joback Calculated Property
Cp,gas	676.86	J/mol×K	943.71	Joback Calculated Property
Cp,gas	686.68	J/mol×K	982.32	Joback Calculated Property
Cp,gas	695.53	J/mol×K	1020.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bamipine, N-desalkyl, hydroxy, acetylated.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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