Chemical Properties of Glutaric acid, monoamide, N-(1-phenylethyl)-, octyl ester

InChI

InChI=1S/C21H33NO3/c1-3-4-5-6-7-11-17-25-21(24)16-12-15-20(23)22-18(2)19-13-9-8-10-14-19/h8-10,13-14,18H,3-7,11-12,15-17H2,1-2H3,(H,22,23)

InChI Key

HAGOBEVORYDVOS-UHFFFAOYSA-N

Formula

C21H33NO3

SMILES

CCCCCCCCOC(=O)CCCC(=O)NC(C)c1ccccc1

Molecular Weight¹

347.49

• 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°	-37.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-549.43	kJ/mol	Joback Calculated Property
ΔfusH°	50.15	kJ/mol	Joback Calculated Property
ΔvapH°	86.57	kJ/mol	Joback Calculated Property
log10WS	-6.00		Crippen Calculated Property
logPoct/wat	4.938		Crippen Calculated Property
McVol	301.980	ml/mol	McGowan Calculated Property
Pc	1300.47	kPa	Joback Calculated Property
Inp	[2710.00; 2710.00]
Inp	2710.00		NIST
Inp	2710.00		NIST
Tboil	886.45	K	Joback Calculated Property
Tc	1092.06	K	Joback Calculated Property
Tfus	512.60	K	Joback Calculated Property
Vc	1.163	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[968.90; 1049.55]	J/mol×K	[886.45; 1092.06]
Cp,gas	968.90	J/mol×K	886.45	Joback Calculated Property
Cp,gas	985.10	J/mol×K	920.72	Joback Calculated Property
Cp,gas	1000.13	J/mol×K	954.99	Joback Calculated Property
Cp,gas	1014.04	J/mol×K	989.26	Joback Calculated Property
Cp,gas	1026.88	J/mol×K	1023.52	Joback Calculated Property
Cp,gas	1038.70	J/mol×K	1057.79	Joback Calculated Property
Cp,gas	1049.55	J/mol×K	1092.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(1-phenylethyl)-, octyl ester.

Sources

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

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