Chemical Properties of Glutaric acid, isobutyl 2-(2-nitrophenyl)ethyl ester

InChI

InChI=1S/C17H23NO6/c1-13(2)12-24-17(20)9-5-8-16(19)23-11-10-14-6-3-4-7-15(14)18(21)22/h3-4,6-7,13H,5,8-12H2,1-2H3

InChI Key

JBHRCHKVUIERNH-UHFFFAOYSA-N

Formula

C17H23NO6

SMILES

CC(C)COC(=O)CCCC(=O)OCCc1ccccc1[N+](=O)[O-]

Molecular Weight¹

337.37

• 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°	-239.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-674.79	kJ/mol	Joback Calculated Property
ΔfusH°	46.85	kJ/mol	Joback Calculated Property
ΔvapH°	90.89	kJ/mol	Joback Calculated Property
log10WS	-4.18		Crippen Calculated Property
logPoct/wat	3.050		Crippen Calculated Property
McVol	258.930	ml/mol	McGowan Calculated Property
Pc	1704.71	kPa	Joback Calculated Property
Inp	[2535.00; 2535.00]
Inp	2535.00		NIST
Inp	2535.00		NIST
Tboil	924.00	K	Joback Calculated Property
Tc	1148.18	K	Joback Calculated Property
Tfus	593.22	K	Joback Calculated Property
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[812.88; 868.56]	J/mol×K	[924.00; 1148.18]
Cp,gas	812.88	J/mol×K	924.00	Joback Calculated Property
Cp,gas	825.20	J/mol×K	961.36	Joback Calculated Property
Cp,gas	836.26	J/mol×K	998.73	Joback Calculated Property
Cp,gas	846.10	J/mol×K	1036.09	Joback Calculated Property
Cp,gas	854.75	J/mol×K	1073.45	Joback Calculated Property
Cp,gas	862.23	J/mol×K	1110.82	Joback Calculated Property
Cp,gas	868.56	J/mol×K	1148.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 2-(2-nitrophenyl)ethyl ester.

Sources

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

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