Chemical Properties of Succinic acid, 2-ethylhexyl 3-nitrobenzyl ester

InChI

InChI=1S/C19H27NO6/c1-3-5-7-15(4-2)13-25-18(21)10-11-19(22)26-14-16-8-6-9-17(12-16)20(23)24/h6,8-9,12,15H,3-5,7,10-11,13-14H2,1-2H3

InChI Key

DGVHIGKHQKJCJK-UHFFFAOYSA-N

Formula

C19H27NO6

SMILES

CCCCC(CC)COC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

365.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.19	kJ/mol	Joback Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.178		Crippen Calculated Property
McVol	287.110	ml/mol	McGowan Calculated Property
Pc	1375.82	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	649.62	K	Relay (1.0) Calculated Property
Tfus	266.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[413.37; 940.98]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.06380e+01
Coefficient B			1.66610e+00
Coefficient C			-8.66360e-04
Coefficient D			1.20600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	413.37	J/mol×K	273.00	Calculated Property
Cp,gas	506.97	J/mol×K	353.78	Calculated Property
Cp,gas	590.95	J/mol×K	434.56	Calculated Property
Cp,gas	665.66	J/mol×K	515.33	Calculated Property
Cp,gas	731.51	J/mol×K	596.11	Calculated Property
Cp,gas	788.86	J/mol×K	676.89	Calculated Property
Cp,gas	838.10	J/mol×K	757.67	Calculated Property
Cp,gas	879.61	J/mol×K	838.44	Calculated Property
Cp,gas	913.78	J/mol×K	919.22	Calculated Property
Cp,gas	940.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-ethylhexyl 3-nitrobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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