Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,6-dichlorophenyl ester

InChI

InChI=1S/C17H13Cl2NO3/c1-20(12-6-3-2-4-7-12)15(21)10-11-16(22)23-17-13(18)8-5-9-14(17)19/h2-11H,1H3/b11-10+

InChI Key

IVPMMJGORCKRBV-ZHACJKMWSA-N

Formula

C17H13Cl2NO3

SMILES

CN(C(=O)C=CC(=O)Oc1c(Cl)cccc1Cl)c1ccccc1

Molecular Weight¹

350.20

• 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°	102.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-148.20	kJ/mol	Joback Calculated Property
ΔfusH°	43.09	kJ/mol	Joback Calculated Property
ΔvapH°	85.98	kJ/mol	Joback Calculated Property
log10WS	-4.76		Crippen Calculated Property
logPoct/wat	4.118		Crippen Calculated Property
McVol	242.040	ml/mol	McGowan Calculated Property
Pc	2197.95	kPa	Joback Calculated Property
Inp	[2768.00; 2768.00]
Inp	2768.00		NIST
Inp	2768.00		NIST
Tboil	873.30	K	Joback Calculated Property
Tc	1118.11	K	Joback Calculated Property
Tfus	568.55	K	Joback Calculated Property
Vc	0.897	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[642.58; 695.52]	J/mol×K	[873.30; 1118.11]
Cp,gas	642.58	J/mol×K	873.30	Joback Calculated Property
Cp,gas	653.67	J/mol×K	914.10	Joback Calculated Property
Cp,gas	663.73	J/mol×K	954.90	Joback Calculated Property
Cp,gas	672.86	J/mol×K	995.71	Joback Calculated Property
Cp,gas	681.14	J/mol×K	1036.51	Joback Calculated Property
Cp,gas	688.66	J/mol×K	1077.31	Joback Calculated Property
Cp,gas	695.52	J/mol×K	1118.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,6-dichlorophenyl ester.

Sources

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

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