Chemical Properties of Nitrendipine M (dehydro)

InChI

InChI=1S/C18H18N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9H,5H2,1-4H3

InChI Key

YEHVABIPGJLMET-UHFFFAOYSA-N

Formula

C18H18N2O6

SMILES

CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc([N+](=O)[O-])c1

Molecular Weight¹

358.35

• 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	0.9302		Relay (1.0) Calculated Property
ΔfG°	-102.64	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-522.64	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-4.01		Relay (1.0) Calculated Property
logPoct/wat	3.237		Crippen Calculated Property
McVol	259.240	ml/mol	McGowan Calculated Property
Pc	1336.92	kPa	Relay (1.0-beta) Calculated Property
Inp	[2370.00; 2370.00]
Inp	2370.00		NIST
Inp	2370.00		NIST
Tboil	668.27	K	Relay (1.0) Calculated Property
Tc	974.96	K	Relay (1.0) Calculated Property
Tfus	388.80	K	Relay (1.0) Calculated Property
Vc	0.927	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Nitrendipine M (dehydro).

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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