Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-pentyl ester

InChI

InChI=1S/C16H21NO3/c1-4-8-13(2)20-16(19)12-11-15(18)17(3)14-9-6-5-7-10-14/h5-7,9-13H,4,8H2,1-3H3/b12-11+

InChI Key

KDOUYXLSDOUHBY-VAWYXSNFSA-N

Formula

C16H21NO3

SMILES

CCCC(C)OC(=O)C=CC(=O)N(C)c1ccccc1

Molecular Weight¹

275.34

• 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°	21.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-314.95	kJ/mol	Joback Calculated Property
ΔfusH°	35.32	kJ/mol	Joback Calculated Property
ΔvapH°	71.00	kJ/mol	Joback Calculated Property
log10WS	-3.33		Crippen Calculated Property
logPoct/wat	2.937		Crippen Calculated Property
McVol	227.230	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[2156.00; 2156.00]
Inp	2156.00		NIST
Inp	2156.00		NIST
Tboil	738.48	K	Joback Calculated Property
Tc	948.35	K	Joback Calculated Property
Tfus	430.98	K	Joback Calculated Property
Vc	0.846	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.18; 716.27]	J/mol×K	[738.48; 948.35]
Cp,gas	638.18	J/mol×K	738.48	Joback Calculated Property
Cp,gas	653.62	J/mol×K	773.46	Joback Calculated Property
Cp,gas	668.02	J/mol×K	808.44	Joback Calculated Property
Cp,gas	681.43	J/mol×K	843.41	Joback Calculated Property
Cp,gas	693.90	J/mol×K	878.39	Joback Calculated Property
Cp,gas	705.50	J/mol×K	913.37	Joback Calculated Property
Cp,gas	716.27	J/mol×K	948.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-pentyl ester.

Sources

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

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