Chemical Properties of GALLOPAMIL, M(N-DESALKYL-), AC

InChI

InChI=1S/C20H30N2O4/c1-14(2)20(13-21,9-8-10-22(4)15(3)23)16-11-17(24-5)19(26-7)18(12-16)25-6/h11-12,14H,8-10H2,1-7H3

InChI Key

DVQRRYVJSUQAEL-UHFFFAOYSA-N

Formula

C20H30N2O4

SMILES

COc1cc(C(C#N)(CCCN(C)C(C)=O)C(C)C)cc(OC)c1OC

Molecular Weight¹

362.46

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	1.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-544.87	kJ/mol	Joback Calculated Property
ΔfusH°	39.18	kJ/mol	Joback Calculated Property
ΔvapH°	89.19	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.388		Crippen Calculated Property
McVol	299.440	ml/mol	McGowan Calculated Property
Pc	1239.83	kPa	Joback Calculated Property
Inp	[2520.00; 2520.00]
Inp	2520.00		NIST
Inp	2520.00		NIST
Tboil	930.60	K	Joback Calculated Property
Tc	1147.32	K	Joback Calculated Property
Tfus	580.64	K	Joback Calculated Property
Vc	1.135	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[958.53; 1024.70]	J/mol×K	[930.60; 1147.32]
Cp,gas	958.53	J/mol×K	930.60	Joback Calculated Property
Cp,gas	972.65	J/mol×K	966.72	Joback Calculated Property
Cp,gas	985.50	J/mol×K	1002.84	Joback Calculated Property
Cp,gas	997.10	J/mol×K	1038.96	Joback Calculated Property
Cp,gas	1007.48	J/mol×K	1075.08	Joback Calculated Property
Cp,gas	1016.67	J/mol×K	1111.20	Joback Calculated Property
Cp,gas	1024.70	J/mol×K	1147.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to GALLOPAMIL, M(N-DESALKYL-), AC.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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