Chemical Properties of Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, isopropyl ester

InChI

InChI=1S/C17H23NO5/c1-12(2)23-17(20)8-7-16(19)18-10-9-13-5-6-14(21-3)15(11-13)22-4/h5-8,11-12H,9-10H2,1-4H3,(H,18,19)/b8-7+

InChI Key

PNPOZMCWMIKFFE-BQYQJAHWSA-N

Formula

C17H23NO5

SMILES

COc1ccc(CCNC(=O)C=CC(=O)OC(C)C)cc1OC

Molecular Weight¹

321.37

• 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°	-220.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-637.03	kJ/mol	Joback Calculated Property
ΔfusH°	41.59	kJ/mol	Joback Calculated Property
ΔvapH°	83.76	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	1.870		Crippen Calculated Property
McVol	253.060	ml/mol	McGowan Calculated Property
Pc	1734.67	kPa	Joback Calculated Property
Inp	[2694.00; 2694.00]
Inp	2694.00		NIST
Inp	2694.00		NIST
Tboil	853.89	K	Joback Calculated Property
Tc	1065.03	K	Joback Calculated Property
Tfus	531.94	K	Joback Calculated Property
Vc	0.955	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.34; 828.26]	J/mol×K	[853.89; 1065.03]
Cp,gas	762.34	J/mol×K	853.89	Joback Calculated Property
Cp,gas	776.09	J/mol×K	889.08	Joback Calculated Property
Cp,gas	788.72	J/mol×K	924.27	Joback Calculated Property
Cp,gas	800.24	J/mol×K	959.46	Joback Calculated Property
Cp,gas	810.66	J/mol×K	994.65	Joback Calculated Property
Cp,gas	820.00	J/mol×K	1029.84	Joback Calculated Property
Cp,gas	828.26	J/mol×K	1065.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, isopropyl ester.

Sources

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

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