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

InChI

InChI=1S/C13H14N2O8/c1-2-22-12(16)3-4-13(17)23-8-9-5-10(14(18)19)7-11(6-9)15(20)21/h5-7H,2-4,8H2,1H3

InChI Key

ARJZQKPMMNDTOX-UHFFFAOYSA-N

Formula

C13H14N2O8

SMILES

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

Molecular Weight¹

326.26

• 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°	-245.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.18	kJ/mol	Joback Calculated Property
ΔfusH°	50.98	kJ/mol	Joback Calculated Property
ΔvapH°	99.63	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	1.889		Crippen Calculated Property
McVol	219.990	ml/mol	McGowan Calculated Property
Pc	2381.86	kPa	Joback Calculated Property
Inp	[2475.00; 2475.00]
Inp	2475.00		NIST
Inp	2475.00		NIST
Tboil	989.74	K	Joback Calculated Property
Tc	1236.64	K	Joback Calculated Property
Tfus	719.27	K	Joback Calculated Property
Vc	0.868	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.87; 697.87]	J/mol×K	[989.74; 1236.64]
Cp,gas	670.87	J/mol×K	989.74	Joback Calculated Property
Cp,gas	678.55	J/mol×K	1030.89	Joback Calculated Property
Cp,gas	684.95	J/mol×K	1072.04	Joback Calculated Property
Cp,gas	690.07	J/mol×K	1113.19	Joback Calculated Property
Cp,gas	693.92	J/mol×K	1154.34	Joback Calculated Property
Cp,gas	696.51	J/mol×K	1195.49	Joback Calculated Property
Cp,gas	697.87	J/mol×K	1236.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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