Chemical Properties of Succinic acid, 4-chloro-2-nitrobenzyl ethyl ester

InChI

InChI=1S/C13H14ClNO6/c1-2-20-12(16)5-6-13(17)21-8-9-3-4-10(14)7-11(9)15(18)19/h3-4,7H,2,5-6,8H2,1H3

InChI Key

SAJOCWCIKHBNFO-UHFFFAOYSA-N

Formula

C13H14ClNO6

SMILES

CCOC(=O)CCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-]

Molecular Weight¹

315.71

• 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°	-292.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-614.16	kJ/mol	Joback Calculated Property
ΔfusH°	43.82	kJ/mol	Joback Calculated Property
ΔvapH°	87.42	kJ/mol	Joback Calculated Property
log10WS	-3.92		Crippen Calculated Property
logPoct/wat	2.635		Crippen Calculated Property
McVol	214.810	ml/mol	McGowan Calculated Property
Pc	2271.90	kPa	Joback Calculated Property
Inp	[2253.00; 2253.00]
Inp	2253.00		NIST
Inp	2253.00		NIST
Tboil	875.33	K	Joback Calculated Property
Tc	1107.00	K	Joback Calculated Property
Tfus	605.58	K	Joback Calculated Property
Vc	0.835	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.16; 650.74]	J/mol×K	[875.33; 1107.00]
Cp,gas	606.16	J/mol×K	875.33	Joback Calculated Property
Cp,gas	616.28	J/mol×K	913.94	Joback Calculated Property
Cp,gas	625.32	J/mol×K	952.55	Joback Calculated Property
Cp,gas	633.27	J/mol×K	991.16	Joback Calculated Property
Cp,gas	640.16	J/mol×K	1029.78	Joback Calculated Property
Cp,gas	645.98	J/mol×K	1068.39	Joback Calculated Property
Cp,gas	650.74	J/mol×K	1107.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-2-nitrobenzyl ethyl ester.

Sources

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

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