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

InChI

InChI=1S/C16H21NO7/c1-12(2)11-24-16(19)8-7-15(18)23-10-9-22-14-5-3-13(4-6-14)17(20)21/h3-6,12H,7-11H2,1-2H3

InChI Key

XYYYXFUDPDTQQR-UHFFFAOYSA-N

Formula

C16H21NO7

SMILES

CC(C)COC(=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°	-353.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-786.37	kJ/mol	Joback Calculated Property
ΔfusH°	45.45	kJ/mol	Joback Calculated Property
ΔvapH°	91.07	kJ/mol	Joback Calculated Property
log10WS	-3.49		Crippen Calculated Property
logPoct/wat	2.496		Crippen Calculated Property
McVol	250.710	ml/mol	McGowan Calculated Property
Pc	1821.61	kPa	Joback Calculated Property
Inp	[2624.00; 2624.00]
Inp	2624.00		NIST
Inp	2624.00		NIST
Tboil	923.54	K	Joback Calculated Property
Tc	1148.28	K	Joback Calculated Property
Tfus	604.18	K	Joback Calculated Property
Vc	0.966	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.56; 830.42]	J/mol×K	[923.54; 1148.28]
Cp,gas	781.56	J/mol×K	923.54	Joback Calculated Property
Cp,gas	793.01	J/mol×K	961.00	Joback Calculated Property
Cp,gas	803.14	J/mol×K	998.45	Joback Calculated Property
Cp,gas	811.93	J/mol×K	1035.91	Joback Calculated Property
Cp,gas	819.41	J/mol×K	1073.36	Joback Calculated Property
Cp,gas	825.57	J/mol×K	1110.82	Joback Calculated Property
Cp,gas	830.42	J/mol×K	1148.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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