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

InChI

InChI=1S/C15H18N2O8/c1-3-6-24-14(18)4-5-15(19)25-9-11-7-12(16(20)21)8-13(10(11)2)17(22)23/h7-8H,3-6,9H2,1-2H3

InChI Key

RYBIKFNJUANPDA-UHFFFAOYSA-N

Formula

C15H18N2O8

SMILES

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

Molecular Weight¹

354.31

• 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°	-237.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-661.93	kJ/mol	Joback Calculated Property
ΔfusH°	55.78	kJ/mol	Joback Calculated Property
ΔvapH°	104.74	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	2.588		Crippen Calculated Property
McVol	248.170	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[2645.00; 2645.00]
Inp	2645.00		NIST
Inp	2645.00		NIST
Tboil	1040.48	K	Joback Calculated Property
Tc	1286.37	K	Joback Calculated Property
Tfus	754.33	K	Joback Calculated Property
Vc	0.980	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.00; 806.81]	J/mol×K	[1040.48; 1286.37]
Cp,gas	782.00	J/mol×K	1040.48	Joback Calculated Property
Cp,gas	789.64	J/mol×K	1081.46	Joback Calculated Property
Cp,gas	795.86	J/mol×K	1122.44	Joback Calculated Property
Cp,gas	800.67	J/mol×K	1163.43	Joback Calculated Property
Cp,gas	804.09	J/mol×K	1204.41	Joback Calculated Property
Cp,gas	806.13	J/mol×K	1245.39	Joback Calculated Property
Cp,gas	806.81	J/mol×K	1286.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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