Chemical Properties of Glutaric acid, monoamide, N-(2-methoxybenzyl)-, isobutyl ester

InChI

InChI=1S/C17H25NO4/c1-13(2)12-22-17(20)10-6-9-16(19)18-11-14-7-4-5-8-15(14)21-3/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,18,19)

InChI Key

IPZWAEBGMZAFQW-UHFFFAOYSA-N

Formula

C17H25NO4

SMILES

COc1ccccc1CNC(=O)CCCC(=O)OCC(C)C

Molecular Weight¹

307.38

• 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°	-185.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-610.56	kJ/mol	Joback Calculated Property
ΔfusH°	40.59	kJ/mol	Joback Calculated Property
ΔvapH°	80.73	kJ/mol	Joback Calculated Property
log10WS	-3.82		Crippen Calculated Property
logPoct/wat	2.681		Crippen Calculated Property
McVol	251.490	ml/mol	McGowan Calculated Property
Pc	1706.12	kPa	Joback Calculated Property
Inp	[2479.00; 2479.00]
Inp	2479.00		NIST
Inp	2479.00		NIST
Tboil	822.33	K	Joback Calculated Property
Tc	1027.63	K	Joback Calculated Property
Tfus	502.27	K	Joback Calculated Property
Vc	0.957	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.10; 834.88]	J/mol×K	[822.33; 1027.63]
Cp,gas	762.10	J/mol×K	822.33	Joback Calculated Property
Cp,gas	776.91	J/mol×K	856.55	Joback Calculated Property
Cp,gas	790.62	J/mol×K	890.76	Joback Calculated Property
Cp,gas	803.26	J/mol×K	924.98	Joback Calculated Property
Cp,gas	814.83	J/mol×K	959.20	Joback Calculated Property
Cp,gas	825.37	J/mol×K	993.42	Joback Calculated Property
Cp,gas	834.88	J/mol×K	1027.63	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.