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

InChI

InChI=1S/C17H23NO3/c1-4-8-13(3)21-17(20)12-11-16(19)18-15-10-7-6-9-14(15)5-2/h6-7,9-13H,4-5,8H2,1-3H3,(H,18,19)/b12-11+

InChI Key

AIXXNEVYBPOHAY-VAWYXSNFSA-N

Formula

C17H23NO3

SMILES

CCCC(C)OC(=O)C=CC(=O)Nc1ccccc1CC

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°	-0.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-361.12	kJ/mol	Joback Calculated Property
ΔfusH°	39.60	kJ/mol	Joback Calculated Property
ΔvapH°	78.28	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	3.476		Crippen Calculated Property
McVol	241.320	ml/mol	McGowan Calculated Property
Pc	1807.70	kPa	Joback Calculated Property
Inp	[2400.00; 2400.00]
Inp	2400.00		NIST
Inp	2400.00		NIST
Tboil	804.07	K	Joback Calculated Property
Tc	1015.28	K	Joback Calculated Property
Tfus	474.96	K	Joback Calculated Property
Vc	0.918	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[708.15; 782.51]	J/mol×K	[804.07; 1015.28]
Cp,gas	708.15	J/mol×K	804.07	Joback Calculated Property
Cp,gas	722.92	J/mol×K	839.27	Joback Calculated Property
Cp,gas	736.68	J/mol×K	874.47	Joback Calculated Property
Cp,gas	749.47	J/mol×K	909.68	Joback Calculated Property
Cp,gas	761.34	J/mol×K	944.88	Joback Calculated Property
Cp,gas	772.34	J/mol×K	980.08	Joback Calculated Property
Cp,gas	782.51	J/mol×K	1015.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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