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

InChI

InChI=1S/C19H18BrNO4/c1-13(2)24-14-7-9-15(10-8-14)25-19(23)12-11-18(22)21-17-6-4-3-5-16(17)20/h3-13H,1-2H3,(H,21,22)/b12-11+

InChI Key

MHGKFTLESWOHIN-VAWYXSNFSA-N

Formula

C19H18BrNO4

SMILES

CC(C)Oc1ccc(OC(=O)C=CC(=O)Nc2ccccc2Br)cc1

Molecular Weight¹

404.25

• 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	0.8607		Relay (1.0) Calculated Property
ΔfG°	28.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.91	kJ/mol	Joback Calculated Property
ΔvapH°	113.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-5.08		Relay (1.0) Calculated Property
logPoct/wat	4.337		Crippen Calculated Property
McVol	269.110	ml/mol	McGowan Calculated Property
Pc	2111.94	kPa	Joback Calculated Property
Inp	[3033.00; 3033.00]
Inp	3033.00		NIST
Inp	3033.00		NIST
Tboil	679.28	K	Relay (1.0) Calculated Property
Tc	969.85	K	Relay (1.0) Calculated Property
Tfus	409.83	K	Relay (1.0) Calculated Property
Vc	0.925	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[779.34; 828.77]	J/mol×K	[970.07; 1215.53]
Cp,gas	779.34	J/mol×K	970.07	Joback Calculated Property
Cp,gas	790.17	J/mol×K	1010.98	Joback Calculated Property
Cp,gas	799.87	J/mol×K	1051.89	Joback Calculated Property
Cp,gas	808.51	J/mol×K	1092.80	Joback Calculated Property
Cp,gas	816.16	J/mol×K	1133.71	Joback Calculated Property
Cp,gas	822.89	J/mol×K	1174.62	Joback Calculated Property
Cp,gas	828.77	J/mol×K	1215.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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