Chemical Properties of Glutaric acid, butyl 2-(4-nitrophenoxy)ethyl ester

InChI

InChI=1S/C17H23NO7/c1-2-3-11-24-16(19)5-4-6-17(20)25-13-12-23-15-9-7-14(8-10-15)18(21)22/h7-10H,2-6,11-13H2,1H3

InChI Key

ASJQVIVFNZZUCC-UHFFFAOYSA-N

Formula

C17H23NO7

SMILES

CCCCOC(=O)CCCC(=O)OCCOc1ccc([N+](=O)[O-])cc1

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°	-342.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-801.73	kJ/mol	Joback Calculated Property
ΔfusH°	51.56	kJ/mol	Joback Calculated Property
ΔvapH°	93.69	kJ/mol	Joback Calculated Property
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	3.030		Crippen Calculated Property
McVol	264.800	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[2811.00; 2811.00]
Inp	2811.00		NIST
Inp	2811.00		NIST
Tboil	946.86	K	Joback Calculated Property
Tc	1169.74	K	Joback Calculated Property
Tfus	630.45	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[838.59; 887.38]	J/mol×K	[946.86; 1169.74]
Cp,gas	838.59	J/mol×K	946.86	Joback Calculated Property
Cp,gas	850.06	J/mol×K	984.01	Joback Calculated Property
Cp,gas	860.18	J/mol×K	1021.15	Joback Calculated Property
Cp,gas	868.96	J/mol×K	1058.30	Joback Calculated Property
Cp,gas	876.42	J/mol×K	1095.45	Joback Calculated Property
Cp,gas	882.55	J/mol×K	1132.59	Joback Calculated Property
Cp,gas	887.38	J/mol×K	1169.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 2-(4-nitrophenoxy)ethyl ester.

Sources

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

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