Chemical Properties of Succinic acid, ethyl 3-nitrobenzyl ester

InChI

InChI=1S/C13H15NO6/c1-2-19-12(15)6-7-13(16)20-9-10-4-3-5-11(8-10)14(17)18/h3-5,8H,2,6-7,9H2,1H3

InChI Key

AJHATJNXYJLTFX-UHFFFAOYSA-N

Formula

C13H15NO6

SMILES

CCOC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

281.26

• 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°	-270.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-586.95	kJ/mol	Joback Calculated Property
ΔfusH°	40.01	kJ/mol	Joback Calculated Property
ΔvapH°	82.37	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	1.981		Crippen Calculated Property
McVol	202.570	ml/mol	McGowan Calculated Property
Pc	2388.85	kPa	Joback Calculated Property
Inp	[2183.00; 2183.00]
Inp	2183.00		NIST
Inp	2183.00		NIST
Tboil	832.92	K	Joback Calculated Property
Tc	1060.93	K	Joback Calculated Property
Tfus	563.14	K	Joback Calculated Property
Vc	0.785	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[587.32; 640.15]	J/mol×K	[832.92; 1060.93]
Cp,gas	587.32	J/mol×K	832.92	Joback Calculated Property
Cp,gas	598.77	J/mol×K	870.92	Joback Calculated Property
Cp,gas	609.15	J/mol×K	908.92	Joback Calculated Property
Cp,gas	618.46	J/mol×K	946.92	Joback Calculated Property
Cp,gas	626.72	J/mol×K	984.92	Joback Calculated Property
Cp,gas	633.95	J/mol×K	1022.93	Joback Calculated Property
Cp,gas	640.15	J/mol×K	1060.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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