Chemical Properties of Succinic acid, isobutyl 2-nitrobenzyl ester

InChI

InChI=1S/C15H19NO6/c1-11(2)9-21-14(17)7-8-15(18)22-10-12-5-3-4-6-13(12)16(19)20/h3-6,11H,7-10H2,1-2H3

InChI Key

YVEKQJGVCCNOCB-UHFFFAOYSA-N

Formula

C15H19NO6

SMILES

CC(C)COC(=O)CCC(=O)OCc1ccccc1[N+](=O)[O-]

Molecular Weight¹

309.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8651		Relay (... Calculated Property
ΔfG°	-256.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-709.61	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.67	kJ/mol	Joback Calculated Property
ΔvapH°	95.78	kJ/mol	Relay (... Calculated Property
IE	9.50	eV	Relay (... Calculated Property
log10WS	-3.72		Relay (... Calculated Property
logPoct/wat	2.617		Crippen Calculated Property
McVol	230.750	ml/mol	McGowan Calculated Property
Pc	2010.90	kPa	Joback Calculated Property
Inp	[2286.00; 2286.00]
Inp	2286.00		NIST
Inp	2286.00		NIST
Tboil	619.90	K	Relay (... Calculated Property
Tc	850.43	K	Relay (... Calculated Property
Tfus	308.99	K	Relay (... Calculated Property
Vc	0.836	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[698.81; 753.69]	J/mol×K	[878.24; 1104.68]
Cp,gas	698.81	J/mol×K	878.24	Joback Calculated Property
Cp,gas	710.85	J/mol×K	915.98	Joback Calculated Property
Cp,gas	721.71	J/mol×K	953.72	Joback Calculated Property
Cp,gas	731.40	J/mol×K	991.46	Joback Calculated Property
Cp,gas	739.95	J/mol×K	1029.20	Joback Calculated Property
Cp,gas	747.37	J/mol×K	1066.94	Joback Calculated Property
Cp,gas	753.69	J/mol×K	1104.68	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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