Chemical Properties of Dimetindene M (nor), acetylated

InChI

InChI=1S/C21H24N2O/c1-15(20-10-6-7-12-22-20)21-18(11-13-23(3)16(2)24)14-17-8-4-5-9-19(17)21/h4-10,12,15H,11,13-14H2,1-3H3

InChI Key

NRYFWAGHSWKXMA-UHFFFAOYSA-N

Formula

C21H24N2O

SMILES

CC(=O)N(C)CCC1=C(C(C)c2ccccn2)c2ccccc2C1

Molecular Weight¹

320.43

• 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	0.6545		Relay (... Calculated Property
ΔfG°	346.35	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	46.63	kJ/mol	Relay (... Calculated Property
ΔvapH°	118.84	kJ/mol	Relay (... Calculated Property
IE	8.26	eV	Relay (... Calculated Property
log10WS	-2.72		Relay (... Calculated Property
logPoct/wat	4.063		Crippen Calculated Property
McVol	265.600	ml/mol	McGowan Calculated Property
Pc	1730.05	kPa	Relay (... Calculated Property ⚠️
Inp	[2775.00; 2775.00]
Inp	2775.00		NIST
Inp	2775.00		NIST
Tboil	675.70	K	Relay (... Calculated Property
Tc	963.61	K	Relay (... Calculated Property
Tfus	392.64	K	Relay (... Calculated Property
Vc	0.960	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Dimetindene M (nor), acetylated.

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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