Chemical Properties of Fumaric acid, monoamide, N-(2-ethylphenyl)-, neopentyl ester

InChI

InChI=1S/C17H23NO3/c1-5-13-8-6-7-9-14(13)18-15(19)10-11-16(20)21-12-17(2,3)4/h6-11H,5,12H2,1-4H3,(H,18,19)/b11-10+

InChI Key

HVOIYMWCNJJVPM-ZHACJKMWSA-N

Formula

C17H23NO3

SMILES

CCc1ccccc1NC(=O)C=CC(=O)OCC(C)(C)C

Molecular Weight¹

289.37

• 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°	4.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-364.59	kJ/mol	Joback Calculated Property
ΔfusH°	35.71	kJ/mol	Joback Calculated Property
ΔvapH°	77.37	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen Calculated Property
logPoct/wat	3.333		Crippen Calculated Property
McVol	241.320	ml/mol	McGowan Calculated Property
Pc	1824.72	kPa	Joback Calculated Property
Inp	[2367.00; 2367.00]
Inp	2367.00		NIST
Inp	2367.00		NIST
Tboil	801.28	K	Joback Calculated Property
Tc	1017.90	K	Joback Calculated Property
Tfus	492.38	K	Joback Calculated Property
Vc	0.913	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.23; 784.18]	J/mol×K	[801.28; 1017.90]
Cp,gas	709.23	J/mol×K	801.28	Joback Calculated Property
Cp,gas	724.07	J/mol×K	837.38	Joback Calculated Property
Cp,gas	737.88	J/mol×K	873.49	Joback Calculated Property
Cp,gas	750.72	J/mol×K	909.59	Joback Calculated Property
Cp,gas	762.67	J/mol×K	945.69	Joback Calculated Property
Cp,gas	773.80	J/mol×K	981.80	Joback Calculated Property
Cp,gas	784.18	J/mol×K	1017.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(2-ethylphenyl)-, neopentyl ester.

Sources

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

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