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

InChI

InChI=1S/C19H27NO5/c1-19(2,3)13-25-18(22)9-8-17(21)20-11-10-14-6-7-15(23-4)16(12-14)24-5/h6-9,12H,10-11,13H2,1-5H3,(H,20,21)/b9-8+

InChI Key

FRRJGWIHBFHMAM-CMDGGOBGSA-N

Formula

C19H27NO5

SMILES

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

Molecular Weight¹

349.42

• 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°	-198.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-681.78	kJ/mol	Joback Calculated Property
ΔfusH°	42.88	kJ/mol	Joback Calculated Property
ΔvapH°	87.31	kJ/mol	Joback Calculated Property
log10WS	-3.72		Crippen Calculated Property
logPoct/wat	2.508		Crippen Calculated Property
McVol	281.240	ml/mol	McGowan Calculated Property
Pc	1499.99	kPa	Joback Calculated Property
Inp	[2847.00; 2847.00]
Inp	2847.00		NIST
Inp	2847.00		NIST
Tboil	896.86	K	Joback Calculated Property
Tc	1111.45	K	Joback Calculated Property
Tfus	571.90	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.59; 946.78]	J/mol×K	[896.86; 1111.45]
Cp,gas	878.59	J/mol×K	896.86	Joback Calculated Property
Cp,gas	892.74	J/mol×K	932.63	Joback Calculated Property
Cp,gas	905.73	J/mol×K	968.39	Joback Calculated Property
Cp,gas	917.58	J/mol×K	1004.16	Joback Calculated Property
Cp,gas	928.36	J/mol×K	1039.92	Joback Calculated Property
Cp,gas	938.08	J/mol×K	1075.69	Joback Calculated Property
Cp,gas	946.78	J/mol×K	1111.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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