Chemical Properties of Glutaric acid, 2-(4-nitrophenoxy)ethyl pentyl ester

InChI

InChI=1S/C18H25NO7/c1-2-3-4-12-25-17(20)6-5-7-18(21)26-14-13-24-16-10-8-15(9-11-16)19(22)23/h8-11H,2-7,12-14H2,1H3

InChI Key

SCQAQBABNNRQBE-UHFFFAOYSA-N

Formula

C18H25NO7

SMILES

CCCCCOC(=O)CCCC(=O)OCCOc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

367.39

• 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°	-333.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-822.37	kJ/mol	Joback Calculated Property
ΔfusH°	54.15	kJ/mol	Joback Calculated Property
ΔvapH°	95.91	kJ/mol	Joback Calculated Property
log10WS	-4.57		Crippen Calculated Property
logPoct/wat	3.420		Crippen Calculated Property
McVol	278.890	ml/mol	McGowan Calculated Property
Pc	1546.35	kPa	Joback Calculated Property
Inp	[2911.00; 2911.00]
Inp	2911.00		NIST
Inp	2911.00		NIST
Tboil	969.74	K	Joback Calculated Property
Tc	1193.76	K	Joback Calculated Property
Tfus	641.72	K	Joback Calculated Property
Vc	1.083	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[896.72; 945.03]	J/mol×K	[969.74; 1193.76]
Cp,gas	896.72	J/mol×K	969.74	Joback Calculated Property
Cp,gas	908.24	J/mol×K	1007.08	Joback Calculated Property
Cp,gas	918.36	J/mol×K	1044.41	Joback Calculated Property
Cp,gas	927.08	J/mol×K	1081.75	Joback Calculated Property
Cp,gas	934.43	J/mol×K	1119.08	Joback Calculated Property
Cp,gas	940.40	J/mol×K	1156.42	Joback Calculated Property
Cp,gas	945.03	J/mol×K	1193.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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