Chemical Properties of Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isohexyl ester

InChI

InChI=1S/C18H26ClNO4/c1-13(2)6-5-11-24-18(22)8-4-7-17(21)20-15-12-14(19)9-10-16(15)23-3/h9-10,12-13H,4-8,11H2,1-3H3,(H,20,21)

InChI Key

HFYCAOMIOQGBEQ-UHFFFAOYSA-N

Formula

C18H26ClNO4

SMILES

COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCCCC(C)C

Molecular Weight¹

355.86

• 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°	-198.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-658.41	kJ/mol	Joback Calculated Property
ΔfusH°	46.99	kJ/mol	Joback Calculated Property
ΔvapH°	88.01	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.437		Crippen Calculated Property
McVol	277.820	ml/mol	McGowan Calculated Property
Pc	1515.21	kPa	Joback Calculated Property
Inp	[2969.00; 2969.00]
Inp	2969.00		NIST
Inp	2969.00		NIST
Tboil	887.62	K	Joback Calculated Property
Tc	1098.40	K	Joback Calculated Property
Tfus	555.98	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[844.32; 909.46]	J/mol×K	[887.62; 1098.40]
Cp,gas	844.32	J/mol×K	887.62	Joback Calculated Property
Cp,gas	858.03	J/mol×K	922.75	Joback Calculated Property
Cp,gas	870.57	J/mol×K	957.88	Joback Calculated Property
Cp,gas	881.96	J/mol×K	993.01	Joback Calculated Property
Cp,gas	892.23	J/mol×K	1028.14	Joback Calculated Property
Cp,gas	901.39	J/mol×K	1063.27	Joback Calculated Property
Cp,gas	909.46	J/mol×K	1098.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isohexyl ester.

Sources

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

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