Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C17H12Cl3NO3/c1-21(12-5-3-2-4-6-12)15(22)7-8-16(23)24-17-13(19)9-11(18)10-14(17)20/h2-10H,1H3/b8-7+

InChI Key

IPLQFONTBKNXRE-BQYQJAHWSA-N

Formula

C17H12Cl3NO3

SMILES

CN(C(=O)C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1

Molecular Weight¹

384.64

• 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°	80.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-175.41	kJ/mol	Joback Calculated Property
ΔfusH°	46.90	kJ/mol	Joback Calculated Property
ΔvapH°	91.03	kJ/mol	Joback Calculated Property
log10WS	-5.44		Crippen Calculated Property
logPoct/wat	4.771		Crippen Calculated Property
McVol	254.280	ml/mol	McGowan Calculated Property
Pc	2094.58	kPa	Joback Calculated Property
Inp	[2894.00; 2894.00]
Inp	2894.00		NIST
Inp	2894.00		NIST
Tboil	915.71	K	Joback Calculated Property
Tc	1163.47	K	Joback Calculated Property
Tfus	610.99	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.92; 706.44]	J/mol×K	[915.71; 1163.47]
Cp,gas	659.92	J/mol×K	915.71	Joback Calculated Property
Cp,gas	669.76	J/mol×K	957.00	Joback Calculated Property
Cp,gas	678.65	J/mol×K	998.30	Joback Calculated Property
Cp,gas	686.68	J/mol×K	1039.59	Joback Calculated Property
Cp,gas	693.93	J/mol×K	1080.88	Joback Calculated Property
Cp,gas	700.48	J/mol×K	1122.18	Joback Calculated Property
Cp,gas	706.44	J/mol×K	1163.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,4,6-trichlorophenyl ester.

Sources

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

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