Chemical Properties of Succinic acid, 3,5-dinitro-4-methylbenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H26N2O8/c1-5-6-17(12(2)3)29-19(23)8-7-18(22)28-11-14-9-15(20(24)25)13(4)16(10-14)21(26)27/h9-10,12,17H,5-8,11H2,1-4H3

InChI Key

BZYDWRORUAESON-UHFFFAOYSA-N

Formula

C19H26N2O8

SMILES

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

Molecular Weight¹

410.42

• 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°	-209.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-755.05	kJ/mol	Joback Calculated Property
ΔfusH°	59.09	kJ/mol	Joback Calculated Property
ΔvapH°	112.87	kJ/mol	Joback Calculated Property
log10WS	-6.33		Crippen Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	304.530	ml/mol	McGowan Calculated Property
Pc	1452.35	kPa	Joback Calculated Property
Inp	[2805.00; 2805.00]
Inp	2805.00		NIST
Inp	2805.00		NIST
Tboil	1131.12	K	Joback Calculated Property
Tc	1386.16	K	Joback Calculated Property
Tfus	769.41	K	Joback Calculated Property
Vc	1.192	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1014.06; 1033.60]	J/mol×K	[1131.12; 1386.16]
Cp,gas	1014.06	J/mol×K	1131.12	Joback Calculated Property
Cp,gas	1021.32	J/mol×K	1173.63	Joback Calculated Property
Cp,gas	1026.87	J/mol×K	1216.13	Joback Calculated Property
Cp,gas	1030.75	J/mol×K	1258.64	Joback Calculated Property
Cp,gas	1032.98	J/mol×K	1301.15	Joback Calculated Property
Cp,gas	1033.60	J/mol×K	1343.65	Joback Calculated Property
Cp,gas	1032.66	J/mol×K	1386.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-dinitro-4-methylbenzyl 2-methylhex-3-yl ester.

Sources

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

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