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

InChI

InChI=1S/C19H27NO3/c1-4-6-10-16(5-2)15-23-19(22)14-13-18(21)20(3)17-11-8-7-9-12-17/h7-9,11-14,16H,4-6,10,15H2,1-3H3/b14-13+

InChI Key

XSYLUJMUMHTSKN-BUHFOSPRSA-N

Formula

C19H27NO3

SMILES

CCCCC(CC)COC(=O)C=CC(=O)N(C)c1ccccc1

Molecular Weight¹

317.42

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8243		Relay (1.0) Calculated Property
ΔfG°	47.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-525.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.09	kJ/mol	Joback Calculated Property
ΔvapH°	97.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-4.71		Relay (1.0) Calculated Property
logPoct/wat	3.965		Crippen Calculated Property
McVol	269.500	ml/mol	McGowan Calculated Property
Pc	1545.13	kPa	Joback Calculated Property
Inp	[2497.00; 2497.00]
Inp	2497.00		NIST
Inp	2497.00		NIST
Tboil	631.93	K	Relay (1.0) Calculated Property
Tc	853.39	K	Relay (1.0) Calculated Property
Tfus	300.32	K	Relay (1.0) Calculated Property
Vc	0.943	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[807.26; 889.46]	J/mol×K	[807.12; 1011.91]
Cp,gas	807.26	J/mol×K	807.12	Joback Calculated Property
Cp,gas	823.42	J/mol×K	841.25	Joback Calculated Property
Cp,gas	838.51	J/mol×K	875.38	Joback Calculated Property
Cp,gas	852.60	J/mol×K	909.51	Joback Calculated Property
Cp,gas	865.75	J/mol×K	943.64	Joback Calculated Property
Cp,gas	878.02	J/mol×K	977.77	Joback Calculated Property
Cp,gas	889.46	J/mol×K	1011.91	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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