Chemical Properties of Succinic acid, butyl 3,5-dinitro-2-methylbenzyl ester

InChI

InChI=1S/C16H20N2O8/c1-3-4-7-25-15(19)5-6-16(20)26-10-12-8-13(17(21)22)9-14(11(12)2)18(23)24/h8-9H,3-7,10H2,1-2H3

InChI Key

RZASFLGGUQLWBK-UHFFFAOYSA-N

Formula

C16H20N2O8

SMILES

CCCCOC(=O)CCC(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C

Molecular Weight¹

368.34

• 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°	-229.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-682.57	kJ/mol	Joback Calculated Property
ΔfusH°	58.37	kJ/mol	Joback Calculated Property
ΔvapH°	106.97	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	2.978		Crippen Calculated Property
McVol	262.260	ml/mol	McGowan Calculated Property
Pc	1807.70	kPa	Joback Calculated Property
Inp	[2743.00; 2743.00]
Inp	2743.00		NIST
Inp	2743.00		NIST
Tboil	1063.36	K	Joback Calculated Property
Tc	1309.78	K	Joback Calculated Property
Tfus	765.60	K	Joback Calculated Property
Vc	1.036	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.34; 863.51]	J/mol×K	[1063.36; 1309.78]
Cp,gas	839.34	J/mol×K	1063.36	Joback Calculated Property
Cp,gas	846.98	J/mol×K	1104.43	Joback Calculated Property
Cp,gas	853.16	J/mol×K	1145.50	Joback Calculated Property
Cp,gas	857.88	J/mol×K	1186.57	Joback Calculated Property
Cp,gas	861.17	J/mol×K	1227.64	Joback Calculated Property
Cp,gas	863.04	J/mol×K	1268.71	Joback Calculated Property
Cp,gas	863.51	J/mol×K	1309.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 3,5-dinitro-2-methylbenzyl ester.

Sources

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

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