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

InChI

InChI=1S/C16H21NO7/c1-3-4-9-23-15(18)7-8-16(19)24-11-12-5-6-13(17(20)21)14(10-12)22-2/h5-6,10H,3-4,7-9,11H2,1-2H3

InChI Key

RBRLBQWIPGQETB-UHFFFAOYSA-N

Formula

C16H21NO7

SMILES

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

Molecular Weight¹

339.34

• 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	0.9963		Relay (1.0) Calculated Property
ΔfG°	-360.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-854.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.58	kJ/mol	Joback Calculated Property
ΔvapH°	100.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	2.770		Crippen Calculated Property
McVol	250.710	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[2597.00; 2597.00]
Inp	2597.00		NIST
Inp	2597.00		NIST
Tboil	635.87	K	Relay (1.0) Calculated Property
Tc	871.34	K	Relay (1.0) Calculated Property
Tfus	299.79	K	Relay (1.0) Calculated Property
Vc	0.915	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[779.58; 827.43]	J/mol×K	[928.96; 1152.36]
Cp,gas	779.58	J/mol×K	928.96	Joback Calculated Property
Cp,gas	790.85	J/mol×K	966.19	Joback Calculated Property
Cp,gas	800.81	J/mol×K	1003.43	Joback Calculated Property
Cp,gas	809.44	J/mol×K	1040.66	Joback Calculated Property
Cp,gas	816.76	J/mol×K	1077.89	Joback Calculated Property
Cp,gas	822.76	J/mol×K	1115.13	Joback Calculated Property
Cp,gas	827.43	J/mol×K	1152.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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