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

InChI

InChI=1S/C19H29NO3/c1-3-4-8-14-23-19(22)13-9-12-18(21)20-15-16(2)17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,12-15H2,1-2H3,(H,20,21)

InChI Key

VQFDYMOFHZTSQP-UHFFFAOYSA-N

Formula

C19H29NO3

SMILES

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

Molecular Weight¹

319.44

• 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	0.8750		Relay (1.0) Calculated Property
ΔfH°gas	-652.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.55	kJ/mol	Joback Calculated Property
ΔvapH°	103.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	3.810		Crippen Calculated Property
McVol	273.800	ml/mol	McGowan Calculated Property
Pc	1454.57	kPa	Joback Calculated Property
Inp	[2531.00; 2531.00]
Inp	2531.00		NIST
Inp	2531.00		NIST
Tboil	634.29	K	Relay (1.0) Calculated Property
Tc	858.66	K	Relay (1.0) Calculated Property
Tfus	310.35	K	Relay (1.0) Calculated Property
Vc	0.992	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	[843.93; 923.15]	J/mol×K	[822.82; 1024.18]
Cp,gas	843.93	J/mol×K	822.82	Joback Calculated Property
Cp,gas	859.85	J/mol×K	856.38	Joback Calculated Property
Cp,gas	874.62	J/mol×K	889.94	Joback Calculated Property
Cp,gas	888.30	J/mol×K	923.50	Joback Calculated Property
Cp,gas	900.92	J/mol×K	957.06	Joback Calculated Property
Cp,gas	912.52	J/mol×K	990.62	Joback Calculated Property
Cp,gas	923.15	J/mol×K	1024.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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