Chemical Properties of Glutaric acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester

InChI

InChI=1S/C15H20ClNO3/c1-11(2)10-20-15(19)9-5-8-14(18)17-13-7-4-3-6-12(13)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18)

InChI Key

KRZVEIXMQHAQPC-UHFFFAOYSA-N

Formula

C15H20ClNO3

SMILES

CC(C)COC(=O)CCCC(=O)Nc1ccccc1Cl

Molecular Weight¹

297.78

• 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°	-109.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-452.80	kJ/mol	Joback Calculated Property
ΔfusH°	38.42	kJ/mol	Joback Calculated Property
ΔvapH°	78.26	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen Calculated Property
logPoct/wat	3.648		Crippen Calculated Property
McVol	229.680	ml/mol	McGowan Calculated Property
Pc	1977.07	kPa	Joback Calculated Property
Inp	[2619.00; 2619.00]
Inp	2619.00		NIST
Inp	2619.00		NIST
Tboil	791.58	K	Joback Calculated Property
Tc	1003.84	K	Joback Calculated Property
Tfus	487.42	K	Joback Calculated Property
Vc	0.875	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.73; 714.79]	J/mol×K	[791.58; 1003.84]
Cp,gas	647.73	J/mol×K	791.58	Joback Calculated Property
Cp,gas	661.29	J/mol×K	826.96	Joback Calculated Property
Cp,gas	673.86	J/mol×K	862.33	Joback Calculated Property
Cp,gas	685.46	J/mol×K	897.71	Joback Calculated Property
Cp,gas	696.13	J/mol×K	933.09	Joback Calculated Property
Cp,gas	705.90	J/mol×K	968.47	Joback Calculated Property
Cp,gas	714.79	J/mol×K	1003.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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