Chemical Properties of Succinic acid, ethyl 4-methoxy-3-nitrobenzyl ester

InChI

InChI=1S/C14H17NO7/c1-3-21-13(16)6-7-14(17)22-9-10-4-5-12(20-2)11(8-10)15(18)19/h4-5,8H,3,6-7,9H2,1-2H3

InChI Key

JDHLFBKTGIZWFZ-UHFFFAOYSA-N

Formula

C14H17NO7

SMILES

CCOC(=O)CCC(=O)OCc1ccc(OC)c([N+](=O)[O-])c1

Molecular Weight¹

311.29

• 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°	-377.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-751.28	kJ/mol	Joback Calculated Property
ΔfusH°	43.40	kJ/mol	Joback Calculated Property
ΔvapH°	87.67	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen Calculated Property
logPoct/wat	1.990		Crippen Calculated Property
McVol	222.530	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
Inp	[2432.00; 2432.00]
Inp	2432.00		NIST
Inp	2432.00		NIST
Tboil	883.20	K	Joback Calculated Property
Tc	1108.30	K	Joback Calculated Property
Tfus	609.16	K	Joback Calculated Property
Vc	0.860	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.42; 714.24]	J/mol×K	[883.20; 1108.30]
Cp,gas	666.42	J/mol×K	883.20	Joback Calculated Property
Cp,gas	677.45	J/mol×K	920.72	Joback Calculated Property
Cp,gas	687.27	J/mol×K	958.23	Joback Calculated Property
Cp,gas	695.87	J/mol×K	995.75	Joback Calculated Property
Cp,gas	703.24	J/mol×K	1033.27	Joback Calculated Property
Cp,gas	709.36	J/mol×K	1070.78	Joback Calculated Property
Cp,gas	714.24	J/mol×K	1108.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 4-methoxy-3-nitrobenzyl ester.

Sources

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

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