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

InChI

InChI=1S/C15H18N2O8/c1-10(2)8-24-14(18)3-4-15(19)25-9-11-5-12(16(20)21)7-13(6-11)17(22)23/h5-7,10H,3-4,8-9H2,1-2H3

InChI Key

FXSUKLDBWMXNKE-UHFFFAOYSA-N

Formula

C15H18N2O8

SMILES

CC(C)COC(=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°	-230.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-655.74	kJ/mol	Joback Calculated Property
ΔfusH°	52.64	kJ/mol	Joback Calculated Property
ΔvapH°	103.69	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	2.526		Crippen Calculated Property
McVol	248.170	ml/mol	McGowan Calculated Property
Pc	2005.50	kPa	Joback Calculated Property
Inp	[2615.00; 2615.00]
Inp	2615.00		NIST
Inp	2615.00		NIST
Tboil	1035.06	K	Joback Calculated Property
Tc	1282.22	K	Joback Calculated Property
Tfus	726.81	K	Joback Calculated Property
Vc	0.974	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[784.40; 810.63]	J/mol×K	[1035.06; 1282.22]
Cp,gas	784.40	J/mol×K	1035.06	Joback Calculated Property
Cp,gas	792.21	J/mol×K	1076.25	Joback Calculated Property
Cp,gas	798.61	J/mol×K	1117.45	Joback Calculated Property
Cp,gas	803.63	J/mol×K	1158.64	Joback Calculated Property
Cp,gas	807.30	J/mol×K	1199.83	Joback Calculated Property
Cp,gas	809.62	J/mol×K	1241.03	Joback Calculated Property
Cp,gas	810.63	J/mol×K	1282.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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