Chemical Properties of Phthalic acid, 3-methoxy-4-nitrobenzyl nonyl ester

InChI

InChI=1S/C25H31NO7/c1-3-4-5-6-7-8-11-16-32-24(27)20-12-9-10-13-21(20)25(28)33-18-19-14-15-22(26(29)30)23(17-19)31-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3

InChI Key

HKIXTKBFWNLNQB-UHFFFAOYSA-N

Formula

C25H31NO7

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])c(OC)c1

Molecular Weight¹

457.52

• 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°	-181.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-753.26	kJ/mol	Joback Calculated Property
ΔfusH°	65.54	kJ/mol	Joback Calculated Property
ΔvapH°	115.09	kJ/mol	Joback Calculated Property
log10WS	-8.19		Crippen Calculated Property
logPoct/wat	5.868		Crippen Calculated Property
McVol	353.760	ml/mol	McGowan Calculated Property
Pc	1177.66	kPa	Joback Calculated Property
Inp	[3986.00; 3986.00]
Inp	3986.00		NIST
Inp	3986.00		NIST
Tboil	1166.54	K	Joback Calculated Property
Tc	1428.56	K	Joback Calculated Property
Tfus	772.07	K	Joback Calculated Property
Vc	1.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1190.50; 1207.55]	J/mol×K	[1166.54; 1428.56]
Cp,gas	1190.50	J/mol×K	1166.54	Joback Calculated Property
Cp,gas	1197.81	J/mol×K	1210.21	Joback Calculated Property
Cp,gas	1203.06	J/mol×K	1253.88	Joback Calculated Property
Cp,gas	1206.29	J/mol×K	1297.55	Joback Calculated Property
Cp,gas	1207.55	J/mol×K	1341.22	Joback Calculated Property
Cp,gas	1206.89	J/mol×K	1384.89	Joback Calculated Property
Cp,gas	1204.35	J/mol×K	1428.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3-methoxy-4-nitrobenzyl nonyl ester.

Sources

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

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