Chemical Properties of Felodipine M (dehydro-desethyl, methyl ester)

InChI

InChI=1S/C17H15Cl2NO4/c1-8-12(16(21)23-3)14(10-6-5-7-11(18)15(10)19)13(9(2)20-8)17(22)24-4/h5-7H,1-4H3

InChI Key

GJWDEVSJBHKJAL-UHFFFAOYSA-N

Formula

C17H15Cl2NO4

SMILES

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(Cl)c1Cl

Molecular Weight¹

368.21

• 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	0.8135		Relay (1.0) Calculated Property
ΔfG°	-225.50	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-557.45	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	4.245		Crippen Calculated Property
McVol	252.210	ml/mol	McGowan Calculated Property
Pc	1553.91	kPa	Relay (1.0-beta) Calculated Property
Inp	[2235.00; 2235.00]
Inp	2235.00		NIST
Inp	2235.00		NIST
Tboil	657.67	K	Relay (1.0) Calculated Property
Tc	954.35	K	Relay (1.0) Calculated Property
Tfus	416.42	K	Relay (1.0) Calculated Property
Vc	0.905	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Felodipine M (dehydro-desethyl, methyl ester).

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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