Chemical Properties of Terfenadine M (N-des-alkyl, -H2O), acetylated

InChI

InChI=1S/C20H21NO/c1-16(22)21-14-12-19(13-15-21)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3

InChI Key

KVXMZFYFJCSLSB-UHFFFAOYSA-N

Formula

C20H21NO

SMILES

CC(=O)N1CCC(=C(c2ccccc2)c2ccccc2)CC1

Molecular Weight¹

291.39

• 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	0.5818		Relay (1.0) Calculated Property
ΔfG°	315.76	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	82.51	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	4.131		Crippen Calculated Property
McVol	241.530	ml/mol	McGowan Calculated Property
Pc	1984.02	kPa	Relay (1.0-beta) Calculated Property
Inp	[2550.00; 2550.00]
Inp	2550.00		NIST
Inp	2550.00		NIST
Tboil	675.21	K	Relay (1.0) Calculated Property
Tc	950.41	K	Relay (1.0) Calculated Property
Tfus	379.93	K	Relay (1.0) Calculated Property
Vc	0.844	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Terfenadine M (N-des-alkyl, -H2O), 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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