Chemical Properties of Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isohexyl ester

InChI

InChI=1S/C21H31NO3/c1-16(2)8-7-15-25-21(24)14-6-13-20(23)22-19-12-5-10-17-9-3-4-11-18(17)19/h3-4,9,11,16,19H,5-8,10,12-15H2,1-2H3,(H,22,23)

InChI Key

DGQLDOQQVXWQJM-UHFFFAOYSA-N

Formula

C21H31NO3

SMILES

CC(C)CCCOC(=O)CCCC(=O)NC1CCCc2ccccc21

Molecular Weight¹

345.48

Other Names

• Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isohexyl ester

• 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°	1.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.26	kJ/mol	Joback Calculated Property
ΔfusH°	45.79	kJ/mol	Joback Calculated Property
ΔvapH°	87.31	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	4.330		Crippen Calculated Property
McVol	291.120	ml/mol	McGowan Calculated Property
Pc	1442.44	kPa	Joback Calculated Property
Inp	[2813.00; 2813.00]
Inp	2813.00		NIST
Inp	2813.00		NIST
Tboil	902.44	K	Joback Calculated Property
Tc	1118.15	K	Joback Calculated Property
Tfus	539.54	K	Joback Calculated Property
Vc	1.111	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[955.12; 1036.32]	J/mol×K	[902.44; 1118.15]
Cp,gas	955.12	J/mol×K	902.44	Joback Calculated Property
Cp,gas	971.45	J/mol×K	938.39	Joback Calculated Property
Cp,gas	986.57	J/mol×K	974.34	Joback Calculated Property
Cp,gas	1000.55	J/mol×K	1010.29	Joback Calculated Property
Cp,gas	1013.45	J/mol×K	1046.25	Joback Calculated Property
Cp,gas	1025.35	J/mol×K	1082.20	Joback Calculated Property
Cp,gas	1036.32	J/mol×K	1118.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isohexyl ester.

Sources

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

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