Chemical Properties of Glutaric acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H26N2O8/c1-4-6-17(13(2)3)29-19(23)8-5-7-18(22)28-12-14-9-15(20(24)25)11-16(10-14)21(26)27/h9-11,13,17H,4-8,12H2,1-3H3

InChI Key

HAOHFYIQMYGJCU-UHFFFAOYSA-N

Formula

C19H26N2O8

SMILES

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

Molecular Weight¹

410.42

• 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°	-199.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-743.58	kJ/mol	Joback Calculated Property
ΔfusH°	59.48	kJ/mol	Joback Calculated Property
ΔvapH°	112.21	kJ/mol	Joback Calculated Property
log10WS	-6.27		Crippen Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
McVol	304.530	ml/mol	McGowan Calculated Property
Pc	1469.10	kPa	Joback Calculated Property
Inp	[2947.00; 2947.00]
Inp	2947.00		NIST
Inp	2947.00		NIST
Tboil	1126.14	K	Joback Calculated Property
Tc	1380.18	K	Joback Calculated Property
Tfus	756.89	K	Joback Calculated Property
Vc	1.192	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1016.32; 1038.52]	J/mol×K	[1126.14; 1380.18]
Cp,gas	1016.32	J/mol×K	1126.14	Joback Calculated Property
Cp,gas	1023.93	J/mol×K	1168.48	Joback Calculated Property
Cp,gas	1029.91	J/mol×K	1210.82	Joback Calculated Property
Cp,gas	1034.30	J/mol×K	1253.16	Joback Calculated Property
Cp,gas	1037.16	J/mol×K	1295.50	Joback Calculated Property
Cp,gas	1038.52	J/mol×K	1337.84	Joback Calculated Property
Cp,gas	1038.44	J/mol×K	1380.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester.

Sources

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

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