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

InChI

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

InChI Key

KEKBYTMBQBFVSM-UHFFFAOYSA-N

Formula

C15H21NO3

SMILES

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

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	0.7242		Relay (1.0) Calculated Property
ΔfG°	-64.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-515.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.05	kJ/mol	Joback Calculated Property
ΔvapH°	88.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-1.55		Relay (1.0) Calculated Property
logPoct/wat	2.378		Crippen Calculated Property
McVol	217.440	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[2148.00; 2148.00]
Inp	2148.00		NIST
Inp	2148.00		NIST
Tboil	617.67	K	Relay (1.0) Calculated Property
Tc	807.36	K	Relay (1.0) Calculated Property
Tfus	305.84	K	Relay (1.0) Calculated Property
Vc	0.803	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.84; 685.18]	J/mol×K	[711.88; 914.00]
Cp,gas	606.84	J/mol×K	711.88	Joback Calculated Property
Cp,gas	622.25	J/mol×K	745.57	Joback Calculated Property
Cp,gas	636.67	J/mol×K	779.25	Joback Calculated Property
Cp,gas	650.13	J/mol×K	812.94	Joback Calculated Property
Cp,gas	662.69	J/mol×K	846.63	Joback Calculated Property
Cp,gas	674.36	J/mol×K	880.32	Joback Calculated Property
Cp,gas	685.18	J/mol×K	914.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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