Chemical Properties of Galipine (CAS 525-68-8)

InChI

InChI=1S/C20H21NO3/c1-22-18-11-9-14(12-20(18)24-3)8-10-15-13-19(23-2)16-6-4-5-7-17(16)21-15/h4-7,9,11-13H,8,10H2,1-3H3

InChI Key

XYXVQWAPEQXRET-UHFFFAOYSA-N

Formula

C20H21NO3

SMILES

COc1ccc(CCc2cc(OC)c3ccccc3n2)cc1OC

Molecular Weight¹

323.39

CAS

525-68-8

• 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	0.8300		Relay (1.0) Calculated Property
ΔfG°	101.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-182.26	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	125.35	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-4.30		Relay (1.0) Calculated Property
logPoct/wat	4.046		Crippen Calculated Property
McVol	253.270	ml/mol	McGowan Calculated Property
Pc	1832.50	kPa	Relay (1.0-beta) Calculated Property
Inp	[2820.00; 2820.00]
Inp	2820.00		NIST
Inp	2820.00		NIST
Tboil	701.05	K	Relay (1.0) Calculated Property
Tc	979.11	K	Relay (1.0) Calculated Property
Tfus	407.48	K	Relay (1.0) Calculated Property
Vc	0.948	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Galipine.

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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