Chemical Properties of Glutaric acid, butyl 3-nitro-4-methoxybenzyl ester

InChI

InChI=1S/C17H23NO7/c1-3-4-10-24-16(19)6-5-7-17(20)25-12-13-8-9-15(23-2)14(11-13)18(21)22/h8-9,11H,3-7,10,12H2,1-2H3

InChI Key

KXJHCLZQDBEQSC-UHFFFAOYSA-N

Formula

C17H23NO7

SMILES

CCCCOC(=O)CCCC(=O)OCc1ccc(OC)c([N+](=O)[O-])c1

Molecular Weight¹

353.37

• 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°	-351.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-813.20	kJ/mol	Joback Calculated Property
ΔfusH°	51.17	kJ/mol	Joback Calculated Property
ΔvapH°	94.35	kJ/mol	Joback Calculated Property
log10WS	-4.61		Crippen Calculated Property
logPoct/wat	3.160		Crippen Calculated Property
McVol	264.800	ml/mol	McGowan Calculated Property
Pc	1649.77	kPa	Joback Calculated Property
Inp	[2745.00; 2745.00]
Inp	2745.00		NIST
Inp	2745.00		NIST
Tboil	951.84	K	Joback Calculated Property
Tc	1175.57	K	Joback Calculated Property
Tfus	642.97	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[837.16; 884.59]	J/mol×K	[951.84; 1175.57]
Cp,gas	837.16	J/mol×K	951.84	Joback Calculated Property
Cp,gas	848.49	J/mol×K	989.13	Joback Calculated Property
Cp,gas	858.45	J/mol×K	1026.42	Joback Calculated Property
Cp,gas	867.04	J/mol×K	1063.71	Joback Calculated Property
Cp,gas	874.26	J/mol×K	1100.99	Joback Calculated Property
Cp,gas	880.11	J/mol×K	1138.28	Joback Calculated Property
Cp,gas	884.59	J/mol×K	1175.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 3-nitro-4-methoxybenzyl ester.

Sources

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

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