Chemical Properties of Succinic acid, di(4-methyl-3-nitrobenzyl) ester

InChI

InChI=1S/C20H20N2O8/c1-13-3-5-15(9-17(13)21(25)26)11-29-19(23)7-8-20(24)30-12-16-6-4-14(2)18(10-16)22(27)28/h3-6,9-10H,7-8,11-12H2,1-2H3

InChI Key

KQTLDCWUNXWULN-UHFFFAOYSA-N

Formula

C20H20N2O8

SMILES

Cc1ccc(COC(=O)CCC(=O)OCc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

Molecular Weight¹

416.38

• 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°	-92.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.07	kJ/mol	Joback Calculated Property
ΔfusH°	62.38	kJ/mol	Joback Calculated Property
ΔvapH°	118.81	kJ/mol	Joback Calculated Property
log10WS	-6.53		Crippen Calculated Property
logPoct/wat	3.687		Crippen Calculated Property
McVol	294.860	ml/mol	McGowan Calculated Property
Pc	1707.53	kPa	Joback Calculated Property
Inp	[3367.00; 3367.00]
Inp	3367.00		NIST
Inp	3367.00		NIST
Tboil	1186.54	K	Joback Calculated Property
Tc	1456.55	K	Joback Calculated Property
Tfus	849.62	K	Joback Calculated Property
Vc	1.151	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[945.92; 953.25]	J/mol×K	[1186.54; 1456.55]
Cp,gas	945.92	J/mol×K	1186.54	Joback Calculated Property
Cp,gas	950.06	J/mol×K	1231.54	Joback Calculated Property
Cp,gas	952.49	J/mol×K	1276.54	Joback Calculated Property
Cp,gas	953.25	J/mol×K	1321.54	Joback Calculated Property
Cp,gas	952.39	J/mol×K	1366.54	Joback Calculated Property
Cp,gas	949.97	J/mol×K	1411.55	Joback Calculated Property
Cp,gas	946.04	J/mol×K	1456.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(4-methyl-3-nitrobenzyl) ester.

Sources

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

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