Chemical Properties of Glutaric acid, monoamide, N-(2-phenylpropyl)-, octyl ester

InChI

InChI=1S/C22H35NO3/c1-3-4-5-6-7-11-17-26-22(25)16-12-15-21(24)23-18-19(2)20-13-9-8-10-14-20/h8-10,13-14,19H,3-7,11-12,15-18H2,1-2H3,(H,23,24)

InChI Key

JLDMJXIZGOTSRQ-UHFFFAOYSA-N

Formula

C22H35NO3

SMILES

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

Molecular Weight¹

361.53

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9888		Relay (1.0) Calculated Property
ΔfH°gas	-717.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.32	kJ/mol	Joback Calculated Property
ΔvapH°	113.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	4.980		Crippen Calculated Property
McVol	316.070	ml/mol	McGowan Calculated Property
Pc	1180.90	kPa	Joback Calculated Property
Inp	[2824.00; 2824.00]
Inp	2824.00		NIST
Inp	2824.00		NIST
Tboil	655.92	K	Relay (1.0) Calculated Property
Tc	882.64	K	Relay (1.0) Calculated Property
Tfus	315.73	K	Relay (1.0) Calculated Property
Vc	1.156	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1022.20; 1103.45]	J/mol×K	[891.46; 1096.08]
Cp,gas	1022.20	J/mol×K	891.46	Joback Calculated Property
Cp,gas	1038.66	J/mol×K	925.56	Joback Calculated Property
Cp,gas	1053.88	J/mol×K	959.67	Joback Calculated Property
Cp,gas	1067.92	J/mol×K	993.77	Joback Calculated Property
Cp,gas	1080.83	J/mol×K	1027.88	Joback Calculated Property
Cp,gas	1092.65	J/mol×K	1061.98	Joback Calculated Property
Cp,gas	1103.45	J/mol×K	1096.08	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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