Chemical Properties of Fumaric acid, monoamide, N-(2-ethylphenyl)-, 4-chloro-2-methylphenyl ester

InChI

InChI=1S/C19H18ClNO3/c1-3-14-6-4-5-7-16(14)21-18(22)10-11-19(23)24-17-9-8-15(20)12-13(17)2/h4-12H,3H2,1-2H3,(H,21,22)/b11-10+

InChI Key

ZNQKRUXQBCNWHG-ZHACJKMWSA-N

Formula

C19H18ClNO3

SMILES

CCc1ccccc1NC(=O)C=CC(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

343.80

• 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	0.8251		Relay (... Calculated Property
ΔfG°	99.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.92	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.76	kJ/mol	Joback Calculated Property
ΔvapH°	113.61	kJ/mol	Relay (... Calculated Property
IE	8.10	eV	Relay (... Calculated Property
log10WS	-5.41		Relay (... Calculated Property
logPoct/wat	4.311		Crippen Calculated Property
McVol	257.980	ml/mol	McGowan Calculated Property
Pc	1910.24	kPa	Joback Calculated Property
Inp	[3012.00; 3012.00]
Inp	3012.00		NIST
Inp	3012.00		NIST
Tboil	655.44	K	Relay (... Calculated Property
Tc	964.12	K	Relay (... Calculated Property
Tfus	385.11	K	Relay (... Calculated Property
Vc	0.890	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[742.84; 799.32]	J/mol×K	[924.34; 1162.79]
Cp,gas	742.84	J/mol×K	924.34	Joback Calculated Property
Cp,gas	754.70	J/mol×K	964.08	Joback Calculated Property
Cp,gas	765.49	J/mol×K	1003.82	Joback Calculated Property
Cp,gas	775.28	J/mol×K	1043.57	Joback Calculated Property
Cp,gas	784.14	J/mol×K	1083.31	Joback Calculated Property
Cp,gas	792.12	J/mol×K	1123.05	Joback Calculated Property
Cp,gas	799.32	J/mol×K	1162.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(2-ethylphenyl)-, 4-chloro-2-methylphenyl ester.

Sources

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

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