Chemical Properties of Glutaric acid, 3,5-dinitrobenzyl pentyl ester

InChI

InChI=1S/C17H22N2O8/c1-2-3-4-8-26-16(20)6-5-7-17(21)27-12-13-9-14(18(22)23)11-15(10-13)19(24)25/h9-11H,2-8,12H2,1H3

InChI Key

BELHHHGMUYYKLS-UHFFFAOYSA-N

Formula

C17H22N2O8

SMILES

CCCCCOC(=O)CCCC(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

Molecular Weight¹

382.37

• 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°	-211.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.74	kJ/mol	Joback Calculated Property
ΔfusH°	61.34	kJ/mol	Joback Calculated Property
ΔvapH°	108.53	kJ/mol	Joback Calculated Property
log10WS	-5.56		Crippen Calculated Property
logPoct/wat	3.450		Crippen Calculated Property
McVol	276.350	ml/mol	McGowan Calculated Property
Pc	1689.34	kPa	Joback Calculated Property
Inp	[2902.00; 2902.00]
Inp	2902.00		NIST
Inp	2902.00		NIST
Tboil	1081.26	K	Joback Calculated Property
Tc	1328.28	K	Joback Calculated Property
Tfus	764.35	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[899.22; 925.24]	J/mol×K	[1081.26; 1328.28]
Cp,gas	899.22	J/mol×K	1081.26	Joback Calculated Property
Cp,gas	907.10	J/mol×K	1122.43	Joback Calculated Property
Cp,gas	913.51	J/mol×K	1163.60	Joback Calculated Property
Cp,gas	918.50	J/mol×K	1204.77	Joback Calculated Property
Cp,gas	922.10	J/mol×K	1245.94	Joback Calculated Property
Cp,gas	924.33	J/mol×K	1287.11	Joback Calculated Property
Cp,gas	925.24	J/mol×K	1328.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,5-dinitrobenzyl pentyl ester.

Sources

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

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