Chemical Properties of Dropropizine (CAS 17692-31-8)

InChI

InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2

InChI Key

PTVWPYVOOKLBCG-UHFFFAOYSA-N

Formula

C13H20N2O2

SMILES

OCC(O)CN1CCN(c2ccccc2)CC1

Molecular Weight¹

236.31

CAS

17692-31-8

• 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	0.8518		Relay (1.0) Calculated Property
ΔfG°	113.90	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-220.77	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	123.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-0.09		Relay (1.0) Calculated Property
logPoct/wat	0.162		Crippen Calculated Property
McVol	191.110	ml/mol	McGowan Calculated Property
Pc	2443.31	kPa	Relay (1.0-beta) Calculated Property
Inp	[2112.00; 2112.00]
Inp	2112.00		NIST
Inp	2112.00		NIST
Tboil	659.32	K	Relay (1.0) Calculated Property
Tc	894.27	K	Relay (1.0) Calculated Property
Tfus	374.47	K	Relay (1.0) Calculated Property
Vc	0.671	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dropropizine.

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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