Chemical Properties of Succinic acid, ethyl 3-methyl-2-nitrobenzyl ester

InChI

InChI=1S/C14H17NO6/c1-3-20-12(16)7-8-13(17)21-9-11-6-4-5-10(2)14(11)15(18)19/h4-6H,3,7-9H2,1-2H3

InChI Key

IVPOKIKLIPUSIP-UHFFFAOYSA-N

Formula

C14H17NO6

SMILES

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

Molecular Weight¹

295.29

• 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°	-272.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-619.06	kJ/mol	Joback Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	85.26	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	2.290		Crippen Calculated Property
McVol	216.660	ml/mol	McGowan Calculated Property
Pc	2149.31	kPa	Joback Calculated Property
Inp	[2154.00; 2154.00]
Inp	2154.00		NIST
Inp	2154.00		NIST
Tboil	860.78	K	Joback Calculated Property
Tc	1087.02	K	Joback Calculated Property
Tfus	586.93	K	Joback Calculated Property
Vc	0.842	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.86; 694.05]	J/mol×K	[860.78; 1087.02]
Cp,gas	640.86	J/mol×K	860.78	Joback Calculated Property
Cp,gas	652.48	J/mol×K	898.49	Joback Calculated Property
Cp,gas	662.99	J/mol×K	936.19	Joback Calculated Property
Cp,gas	672.40	J/mol×K	973.90	Joback Calculated Property
Cp,gas	680.70	J/mol×K	1011.60	Joback Calculated Property
Cp,gas	687.92	J/mol×K	1049.31	Joback Calculated Property
Cp,gas	694.05	J/mol×K	1087.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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