Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester

InChI

InChI=1S/C17H14BrNO3/c1-19(14-5-3-2-4-6-14)16(20)11-12-17(21)22-15-9-7-13(18)8-10-15/h2-12H,1H3/b12-11+

InChI Key

UKUMPJAFVXSDSP-VAWYXSNFSA-N

Formula

C17H14BrNO3

SMILES

CN(C(=O)C=CC(=O)Oc1ccc(Br)cc1)c1ccccc1

Molecular Weight¹

360.20

• 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°	149.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-78.92	kJ/mol	Joback Calculated Property
ΔfusH°	40.37	kJ/mol	Joback Calculated Property
ΔvapH°	82.99	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	3.574		Crippen Calculated Property
McVol	235.060	ml/mol	McGowan Calculated Property
Pc	2563.69	kPa	Joback Calculated Property
Inp	[2805.00; 2805.00]
Inp	2805.00		NIST
Inp	2805.00		NIST
Tboil	859.62	K	Joback Calculated Property
Tc	1108.27	K	Joback Calculated Property
Tfus	555.99	K	Joback Calculated Property
Vc	0.862	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.91; 691.12]	J/mol×K	[859.62; 1108.27]
Cp,gas	632.91	J/mol×K	859.62	Joback Calculated Property
Cp,gas	644.85	J/mol×K	901.06	Joback Calculated Property
Cp,gas	655.75	J/mol×K	942.50	Joback Calculated Property
Cp,gas	665.71	J/mol×K	983.95	Joback Calculated Property
Cp,gas	674.85	J/mol×K	1025.39	Joback Calculated Property
Cp,gas	683.28	J/mol×K	1066.83	Joback Calculated Property
Cp,gas	691.12	J/mol×K	1108.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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