Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-methylphenyl ester

InChI

InChI=1S/C18H17NO3/c1-14-7-6-10-16(13-14)22-18(21)12-11-17(20)19(2)15-8-4-3-5-9-15/h3-13H,1-2H3/b12-11+

InChI Key

NHVALAHENMCJLC-VAWYXSNFSA-N

Formula

C18H17NO3

SMILES

Cc1cccc(OC(=O)C=CC(=O)N(C)c2ccccc2)c1

Molecular Weight¹

295.33

• 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°	144.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-125.89	kJ/mol	Joback Calculated Property
ΔfusH°	37.68	kJ/mol	Joback Calculated Property
ΔvapH°	78.78	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	3.120		Crippen Calculated Property
McVol	231.650	ml/mol	McGowan Calculated Property
Pc	2183.60	kPa	Joback Calculated Property
Inp	[2587.00; 2587.00]
Inp	2587.00		NIST
Inp	2587.00		NIST
Tboil	816.34	K	Joback Calculated Property
Tc	1052.04	K	Joback Calculated Property
Tfus	507.46	K	Joback Calculated Property
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.74; 723.99]	J/mol×K	[816.34; 1052.04]
Cp,gas	655.74	J/mol×K	816.34	Joback Calculated Property
Cp,gas	669.76	J/mol×K	855.62	Joback Calculated Property
Cp,gas	682.60	J/mol×K	894.91	Joback Calculated Property
Cp,gas	694.36	J/mol×K	934.19	Joback Calculated Property
Cp,gas	705.11	J/mol×K	973.47	Joback Calculated Property
Cp,gas	714.96	J/mol×K	1012.75	Joback Calculated Property
Cp,gas	723.99	J/mol×K	1052.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 3-methylphenyl ester.

Sources

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

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