Chemical Properties of Succinic acid, butyl 3,5-dinitrobenzyl ester

InChI

InChI=1S/C15H18N2O8/c1-2-3-6-24-14(18)4-5-15(19)25-10-11-7-12(16(20)21)9-13(8-11)17(22)23/h7-9H,2-6,10H2,1H3

InChI Key

HBMUKYXEIGYSML-UHFFFAOYSA-N

Formula

C15H18N2O8

SMILES

CCCCOC(=O)CCC(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

Molecular Weight¹

354.31

• 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°	-228.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-650.46	kJ/mol	Joback Calculated Property
ΔfusH°	56.16	kJ/mol	Joback Calculated Property
ΔvapH°	104.08	kJ/mol	Joback Calculated Property
log10WS	-4.73		Crippen Calculated Property
logPoct/wat	2.670		Crippen Calculated Property
McVol	248.170	ml/mol	McGowan Calculated Property
Pc	1991.21	kPa	Joback Calculated Property
Inp	[2665.00; 2665.00]
Inp	2665.00		NIST
Inp	2665.00		NIST
Tboil	1035.50	K	Joback Calculated Property
Tc	1280.58	K	Joback Calculated Property
Tfus	741.81	K	Joback Calculated Property
Vc	0.980	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[784.03; 811.02]	J/mol×K	[1035.50; 1280.58]
Cp,gas	784.03	J/mol×K	1035.50	Joback Calculated Property
Cp,gas	791.86	J/mol×K	1076.35	Joback Calculated Property
Cp,gas	798.34	J/mol×K	1117.19	Joback Calculated Property
Cp,gas	803.47	J/mol×K	1158.04	Joback Calculated Property
Cp,gas	807.27	J/mol×K	1198.89	Joback Calculated Property
Cp,gas	809.78	J/mol×K	1239.74	Joback Calculated Property
Cp,gas	811.02	J/mol×K	1280.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 3,5-dinitrobenzyl ester.

Sources

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

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