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

InChI

InChI=1S/C15H19NO3/c1-4-12-7-5-6-8-13(12)16-14(17)9-10-15(18)19-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)/b10-9+

InChI Key

VLCIZJOPVOGLQB-MDZDMXLPSA-N

Formula

C15H19NO3

SMILES

CCc1ccccc1NC(=O)C=CC(=O)OC(C)C

Molecular Weight¹

261.32

• 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°	-17.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.84	kJ/mol	Joback Calculated Property
ΔfusH°	34.42	kJ/mol	Joback Calculated Property
ΔvapH°	73.83	kJ/mol	Joback Calculated Property
log10WS	-3.40		Crippen Calculated Property
logPoct/wat	2.695		Crippen Calculated Property
McVol	213.140	ml/mol	McGowan Calculated Property
Pc	2143.35	kPa	Joback Calculated Property
Inp	[2192.00; 2192.00]
Inp	2192.00		NIST
Inp	2192.00		NIST
Tboil	758.31	K	Joback Calculated Property
Tc	973.91	K	Joback Calculated Property
Tfus	452.42	K	Joback Calculated Property
Vc	0.806	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[597.28; 668.46]	J/mol×K	[758.31; 973.91]
Cp,gas	597.28	J/mol×K	758.31	Joback Calculated Property
Cp,gas	611.46	J/mol×K	794.24	Joback Calculated Property
Cp,gas	624.66	J/mol×K	830.18	Joback Calculated Property
Cp,gas	636.91	J/mol×K	866.11	Joback Calculated Property
Cp,gas	648.27	J/mol×K	902.04	Joback Calculated Property
Cp,gas	658.77	J/mol×K	937.98	Joback Calculated Property
Cp,gas	668.46	J/mol×K	973.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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