Chemical Properties of Succinic acid, 3,5-dinitro-4-methylbenzyl ethyl ester

InChI

InChI=1S/C14H16N2O8/c1-3-23-13(17)4-5-14(18)24-8-10-6-11(15(19)20)9(2)12(7-10)16(21)22/h6-7H,3-5,8H2,1-2H3

InChI Key

YLKGCOXFXSRNGZ-UHFFFAOYSA-N

Formula

C14H16N2O8

SMILES

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

Molecular Weight¹

340.29

• 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°	-246.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-641.29	kJ/mol	Joback Calculated Property
ΔfusH°	53.19	kJ/mol	Joback Calculated Property
ΔvapH°	102.51	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	2.198		Crippen Calculated Property
McVol	234.080	ml/mol	McGowan Calculated Property
Pc	2143.35	kPa	Joback Calculated Property
Inp	[2479.00; 2479.00]
Inp	2479.00		NIST
Inp	2479.00		NIST
Tboil	1017.60	K	Joback Calculated Property
Tc	1263.91	K	Joback Calculated Property
Tfus	743.06	K	Joback Calculated Property
Vc	0.923	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.14; 750.32]	J/mol×K	[1017.60; 1263.91]
Cp,gas	725.14	J/mol×K	1017.60	Joback Calculated Property
Cp,gas	732.75	J/mol×K	1058.65	Joback Calculated Property
Cp,gas	738.98	J/mol×K	1099.70	Joback Calculated Property
Cp,gas	743.85	J/mol×K	1140.75	Joback Calculated Property
Cp,gas	747.35	J/mol×K	1181.81	Joback Calculated Property
Cp,gas	749.51	J/mol×K	1222.86	Joback Calculated Property
Cp,gas	750.32	J/mol×K	1263.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-dinitro-4-methylbenzyl ethyl ester.

Sources

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

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