Chemical Properties of Isophthalic acid, monoamide, N-(2-bromophenyl)-, ethyl ester

InChI

InChI=1S/C16H14BrNO3/c1-2-21-16(20)12-7-5-6-11(10-12)15(19)18-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3,(H,18,19)

InChI Key

HNAQDMRCRNJUKF-UHFFFAOYSA-N

Formula

C16H14BrNO3

SMILES

CCOC(=O)c1cccc(C(O)=Nc2ccccc2Br)c1

Molecular Weight¹

348.19

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-221.72	kJ/mol	Joback Calculated Property
ΔvapH°	92.75	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	4.262		Crippen Calculated Property
McVol	225.270	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback Calculated Property
Inp	[2699.00; 2699.00]
Inp	2699.00		NIST
Inp	2699.00		NIST
Tboil	939.99	K	Joback Calculated Property
Tc	1182.22	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(2-bromophenyl)-, ethyl ester.

Sources

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

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