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

InChI

InChI=1S/C25H31NO6/c1-3-4-5-6-7-8-11-16-31-24(27)21-12-9-10-13-22(21)25(28)32-18-20-15-14-19(2)23(17-20)26(29)30/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3

InChI Key

ONUHUFQHGMLQSG-UHFFFAOYSA-N

Formula

C25H31NO6

SMILES

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

Molecular Weight¹

441.52

• 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	1.2215		Relay (1.0) Calculated Property
ΔfG°	-76.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-700.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.36	kJ/mol	Joback Calculated Property
ΔvapH°	127.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-7.04		Relay (1.0) Calculated Property
logPoct/wat	6.168		Crippen Calculated Property
McVol	347.890	ml/mol	McGowan Calculated Property
Pc	1191.52	kPa	Joback Calculated Property
Inp	[3685.00; 3685.00]
Inp	3685.00		NIST
Inp	3685.00		NIST
Tboil	705.78	K	Relay (1.0) Calculated Property
Tc	997.80	K	Relay (1.0) Calculated Property
Tfus	298.44	K	Relay (1.0) Calculated Property
Vc	1.270	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1169.50; 1202.03]	J/mol×K	[1144.12; 1400.73]
Cp,gas	1169.50	J/mol×K	1144.12	Joback Calculated Property
Cp,gas	1178.94	J/mol×K	1186.89	Joback Calculated Property
Cp,gas	1186.67	J/mol×K	1229.66	Joback Calculated Property
Cp,gas	1192.77	J/mol×K	1272.43	Joback Calculated Property
Cp,gas	1197.32	J/mol×K	1315.19	Joback Calculated Property
Cp,gas	1200.38	J/mol×K	1357.96	Joback Calculated Property
Cp,gas	1202.03	J/mol×K	1400.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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