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

InChI

InChI=1S/C16H20N2O8/c1-10(2)8-25-15(19)4-5-16(20)26-9-12-6-13(17(21)22)7-14(11(12)3)18(23)24/h6-7,10H,4-5,8-9H2,1-3H3

InChI Key

ZBWASMFATZUDGF-UHFFFAOYSA-N

Formula

C16H20N2O8

SMILES

Cc1c(COC(=O)CCC(=O)OCC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]

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°	-231.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-687.85	kJ/mol	Joback Calculated Property
ΔfusH°	54.84	kJ/mol	Joback Calculated Property
ΔvapH°	106.58	kJ/mol	Joback Calculated Property
log10WS	-4.96		Crippen Calculated Property
logPoct/wat	2.834		Crippen Calculated Property
McVol	262.260	ml/mol	McGowan Calculated Property
Pc	1820.06	kPa	Joback Calculated Property
Inp	[2693.00; 2693.00]
Inp	2693.00		NIST
Inp	2693.00		NIST
Tboil	1062.92	K	Joback Calculated Property
Tc	1310.98	K	Joback Calculated Property
Tfus	750.60	K	Joback Calculated Property
Vc	1.030	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.65; 862.96]	J/mol×K	[1062.92; 1310.98]
Cp,gas	839.65	J/mol×K	1062.92	Joback Calculated Property
Cp,gas	847.24	J/mol×K	1104.26	Joback Calculated Property
Cp,gas	853.32	J/mol×K	1145.61	Joback Calculated Property
Cp,gas	857.92	J/mol×K	1186.95	Joback Calculated Property
Cp,gas	861.04	J/mol×K	1228.29	Joback Calculated Property
Cp,gas	862.72	J/mol×K	1269.63	Joback Calculated Property
Cp,gas	862.96	J/mol×K	1310.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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