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_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°	-222.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-716.07	kJ/mol	Joback Calculated Property
ΔfusH°	52.03	kJ/mol	Joback Calculated Property
ΔvapH°	95.34	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	4.178		Crippen Calculated Property
McVol	287.110	ml/mol	McGowan Calculated Property
Pc	1463.49	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	969.76	K	Joback Calculated Property
Tc	1194.84	K	Joback Calculated Property
Tfus	615.76	K	Joback Calculated Property
Vc	1.115	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[929.61; 985.37]	J/mol×K	[969.76; 1194.84]
Cp,gas	929.61	J/mol×K	969.76	Joback Calculated Property
Cp,gas	942.12	J/mol×K	1007.27	Joback Calculated Property
Cp,gas	953.29	J/mol×K	1044.79	Joback Calculated Property
Cp,gas	963.17	J/mol×K	1082.30	Joback Calculated Property
Cp,gas	971.79	J/mol×K	1119.81	Joback Calculated Property
Cp,gas	979.18	J/mol×K	1157.33	Joback Calculated Property
Cp,gas	985.37	J/mol×K	1194.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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