Chemical Properties of Glutaric acid, monoamide, N-methyl-N-benzyl-, heptyl ester

InChI

InChI=1S/C20H31NO3/c1-3-4-5-6-10-16-24-20(23)15-11-14-19(22)21(2)17-18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3

InChI Key

LILVLIMWOPBRGN-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

CCCCCCCOC(=O)CCCC(=O)N(C)Cc1ccccc1

Molecular Weight¹

333.46

• 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°	-22.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-509.45	kJ/mol	Joback Calculated Property
ΔfusH°	49.00	kJ/mol	Joback Calculated Property
ΔvapH°	80.33	kJ/mol	Joback Calculated Property
log10WS	-5.00		Crippen Calculated Property
logPoct/wat	4.329		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1371.74	kPa	Joback Calculated Property
Inp	[2648.00; 2648.00]
Inp	2648.00		NIST
Inp	2648.00		NIST
Tboil	826.28	K	Joback Calculated Property
Tc	1024.21	K	Joback Calculated Property
Tfus	496.14	K	Joback Calculated Property
Vc	1.095	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[891.01; 975.69]	J/mol×K	[826.28; 1024.21]
Cp,gas	891.01	J/mol×K	826.28	Joback Calculated Property
Cp,gas	907.69	J/mol×K	859.27	Joback Calculated Property
Cp,gas	923.29	J/mol×K	892.26	Joback Calculated Property
Cp,gas	937.83	J/mol×K	925.25	Joback Calculated Property
Cp,gas	951.39	J/mol×K	958.24	Joback Calculated Property
Cp,gas	963.99	J/mol×K	991.22	Joback Calculated Property
Cp,gas	975.69	J/mol×K	1024.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-methyl-N-benzyl-, heptyl ester.

Sources

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

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