Chemical Properties of Glutaric acid, monoamide, N-(2-bromophenyl)-, pentyl ester

InChI

InChI=1S/C16H22BrNO3/c1-2-3-6-12-21-16(20)11-7-10-15(19)18-14-9-5-4-8-13(14)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19)

InChI Key

SGJZBFADZTWIOP-UHFFFAOYSA-N

Formula

C16H22BrNO3

SMILES

CCCCCOC(=O)CCCC(=O)Nc1ccccc1Br

Molecular Weight¹

356.25

• 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°	-72.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-426.09	kJ/mol	Joback Calculated Property
ΔfusH°	45.62	kJ/mol	Joback Calculated Property
ΔvapH°	82.92	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	4.291		Crippen Calculated Property
McVol	249.030	ml/mol	McGowan Calculated Property
Pc	1980.59	kPa	Joback Calculated Property
Inp	[2749.00; 2749.00]
Inp	2749.00		NIST
Inp	2749.00		NIST
Tboil	843.63	K	Joback Calculated Property
Tc	1057.90	K	Joback Calculated Property
Tfus	543.57	K	Joback Calculated Property
Vc	0.951	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.83; 780.31]	J/mol×K	[843.63; 1057.90]
Cp,gas	714.83	J/mol×K	843.63	Joback Calculated Property
Cp,gas	728.05	J/mol×K	879.34	Joback Calculated Property
Cp,gas	740.28	J/mol×K	915.05	Joback Calculated Property
Cp,gas	751.59	J/mol×K	950.76	Joback Calculated Property
Cp,gas	762.00	J/mol×K	986.48	Joback Calculated Property
Cp,gas	771.56	J/mol×K	1022.19	Joback Calculated Property
Cp,gas	780.31	J/mol×K	1057.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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