Chemical Properties of Succinic acid, butyl 2-(4-nitrophenoxy)ethyl ester

InChI

InChI=1S/C16H21NO7/c1-2-3-10-23-15(18)8-9-16(19)24-12-11-22-14-6-4-13(5-7-14)17(20)21/h4-7H,2-3,8-12H2,1H3

InChI Key

DTROSPXECHHHIV-UHFFFAOYSA-N

Formula

C16H21NO7

SMILES

CCCCOC(=O)CCC(=O)OCCOc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

339.34

• 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°	-350.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-781.09	kJ/mol	Joback Calculated Property
ΔfusH°	48.97	kJ/mol	Joback Calculated Property
ΔvapH°	91.46	kJ/mol	Joback Calculated Property
log10WS	-3.73		Crippen Calculated Property
logPoct/wat	2.640		Crippen Calculated Property
McVol	250.710	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[2671.00; 2671.00]
Inp	2671.00		NIST
Inp	2671.00		NIST
Tboil	923.98	K	Joback Calculated Property
Tc	1146.57	K	Joback Calculated Property
Tfus	619.18	K	Joback Calculated Property
Vc	0.972	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.04; 830.08]	J/mol×K	[923.98; 1146.57]
Cp,gas	781.04	J/mol×K	923.98	Joback Calculated Property
Cp,gas	792.43	J/mol×K	961.08	Joback Calculated Property
Cp,gas	802.52	J/mol×K	998.18	Joback Calculated Property
Cp,gas	811.33	J/mol×K	1035.27	Joback Calculated Property
Cp,gas	818.86	J/mol×K	1072.37	Joback Calculated Property
Cp,gas	825.11	J/mol×K	1109.47	Joback Calculated Property
Cp,gas	830.08	J/mol×K	1146.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 2-(4-nitrophenoxy)ethyl ester.

Sources

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

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