Chemical Properties of Glutaric acid, monoamide, N-(3-methylphenyl)-, propyl ester

InChI

InChI=1S/C15H21NO3/c1-3-10-19-15(18)9-5-8-14(17)16-13-7-4-6-12(2)11-13/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,16,17)

InChI Key

XADFDUJIFAWKNQ-UHFFFAOYSA-N

Formula

C15H21NO3

SMILES

CCCOC(=O)CCCC(=O)Nc1cccc(C)c1

Molecular Weight¹

263.33

• ω : Acentric Factor.
• 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).
• 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	0.8060		Relay (1.0) Calculated Property
ΔfG°	-95.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-587.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.74	kJ/mol	Joback Calculated Property
ΔvapH°	87.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	3.057		Crippen Calculated Property
McVol	217.440	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[2488.00; 2488.00]
Inp	2488.00		NIST
Inp	2488.00		NIST
Tboil	625.22	K	Relay (1.0) Calculated Property
Tc	843.43	K	Relay (1.0) Calculated Property
Tfus	334.25	K	Relay (1.0) Calculated Property
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[621.45; 694.55]	J/mol×K	[754.59; 960.29]
Cp,gas	621.45	J/mol×K	754.59	Joback Calculated Property
Cp,gas	635.94	J/mol×K	788.87	Joback Calculated Property
Cp,gas	649.47	J/mol×K	823.16	Joback Calculated Property
Cp,gas	662.07	J/mol×K	857.44	Joback Calculated Property
Cp,gas	673.77	J/mol×K	891.72	Joback Calculated Property
Cp,gas	684.59	J/mol×K	926.01	Joback Calculated Property
Cp,gas	694.55	J/mol×K	960.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(3-methylphenyl)-, propyl ester.

Sources

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

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