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

InChI

InChI=1S/C17H13BrClNO3/c1-11-10-12(19)6-7-15(11)23-17(22)9-8-16(21)20-14-5-3-2-4-13(14)18/h2-10H,1H3,(H,20,21)/b9-8+

InChI Key

RJXNSHQGNMMVKI-CMDGGOBGSA-N

Formula

C17H13BrClNO3

SMILES

Cc1cc(Cl)ccc1OC(=O)C=CC(=O)Nc1ccccc1Br

Molecular Weight¹

394.65

• 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°	97.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-131.66	kJ/mol	Joback Calculated Property
ΔfusH°	45.87	kJ/mol	Joback Calculated Property
ΔvapH°	93.09	kJ/mol	Joback Calculated Property
log10WS	-5.81		Crippen Calculated Property
logPoct/wat	4.511		Crippen Calculated Property
McVol	247.300	ml/mol	McGowan Calculated Property
Pc	2433.84	kPa	Joback Calculated Property
Inp	[3083.00; 3083.00]
Inp	3083.00		NIST
Inp	3083.00		NIST
Tboil	944.74	K	Joback Calculated Property
Tc	1197.82	K	Joback Calculated Property
Tfus	631.14	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[657.71; 704.58]	J/mol×K	[944.74; 1197.82]
Cp,gas	657.71	J/mol×K	944.74	Joback Calculated Property
Cp,gas	667.54	J/mol×K	986.92	Joback Calculated Property
Cp,gas	676.44	J/mol×K	1029.10	Joback Calculated Property
Cp,gas	684.50	J/mol×K	1071.28	Joback Calculated Property
Cp,gas	691.82	J/mol×K	1113.46	Joback Calculated Property
Cp,gas	698.48	J/mol×K	1155.64	Joback Calculated Property
Cp,gas	704.58	J/mol×K	1197.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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