Chemical Properties of Dimetindene M (nor, OH), acetylated

InChI

InChI=1S/C23H26N2O3/c1-15(22-7-5-6-11-24-22)23-18(10-12-25(4)16(2)26)13-19-14-20(28-17(3)27)8-9-21(19)23/h5-9,11,14-15H,10,12-13H2,1-4H3

InChI Key

CPMRHZBAZYTLGT-UHFFFAOYSA-N

Formula

C23H26N2O3

SMILES

CC(=O)Oc1ccc2c(c1)CC(CCN(C)C(C)=O)=C2C(C)c1ccccn1

Molecular Weight¹

378.46

• 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	0.8294		Relay (1.0) Calculated Property
ΔfG°	95.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-321.19	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	126.29	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-3.09		Relay (1.0) Calculated Property
logPoct/wat	3.989		Crippen Calculated Property
McVol	301.220	ml/mol	McGowan Calculated Property
Pc	1387.88	kPa	Relay (1.0-beta) Calculated Property
Inp	[3090.00; 3090.00]
Inp	3090.00		NIST
Inp	3090.00		NIST
Tboil	705.36	K	Relay (1.0) Calculated Property
Tc	992.41	K	Relay (1.0) Calculated Property
Tfus	405.56	K	Relay (1.0) Calculated Property
Vc	1.085	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dimetindene M (nor, OH), 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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