Chemical Properties of Fumaric acid, monoamide, N-(4-chlorophenyl)-, isopropyl ester

InChI

InChI=1S/C13H14ClNO3/c1-9(2)18-13(17)8-7-12(16)15-11-5-3-10(14)4-6-11/h3-9H,1-2H3,(H,15,16)/b8-7+

InChI Key

JLNQFQCOGXLTRZ-BQYQJAHWSA-N

Formula

C13H14ClNO3

SMILES

CC(C)OC(=O)C=CC(=O)Nc1ccc(Cl)cc1

Molecular Weight¹

267.71

• 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°	-46.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-294.30	kJ/mol	Joback Calculated Property
ΔfusH°	33.44	kJ/mol	Joback Calculated Property
ΔvapH°	73.76	kJ/mol	Joback Calculated Property
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	2.786		Crippen Calculated Property
McVol	197.200	ml/mol	McGowan Calculated Property
Pc	2487.55	kPa	Joback Calculated Property
Inp	[2368.00; 2368.00]
Inp	2368.00		NIST
Inp	2368.00		NIST
Tboil	749.98	K	Joback Calculated Property
Tc	974.85	K	Joback Calculated Property
Tfus	459.80	K	Joback Calculated Property
Vc	0.744	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.63; 575.10]	J/mol×K	[749.98; 974.85]
Cp,gas	514.63	J/mol×K	749.98	Joback Calculated Property
Cp,gas	526.88	J/mol×K	787.46	Joback Calculated Property
Cp,gas	538.20	J/mol×K	824.94	Joback Calculated Property
Cp,gas	548.65	J/mol×K	862.42	Joback Calculated Property
Cp,gas	558.25	J/mol×K	899.90	Joback Calculated Property
Cp,gas	567.05	J/mol×K	937.37	Joback Calculated Property
Cp,gas	575.10	J/mol×K	974.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(4-chlorophenyl)-, isopropyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.