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

InChI

InChI=1S/C18H17NO6/c1-3-24-17(20)14-6-4-5-7-15(14)18(21)25-11-13-9-8-12(2)16(10-13)19(22)23/h4-10H,3,11H2,1-2H3

InChI Key

XONLNXMEFVVWPM-UHFFFAOYSA-N

Formula

C18H17NO6

SMILES

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

Molecular Weight¹

343.33

• 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°	-135.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-476.56	kJ/mol	Joback Calculated Property
ΔfusH°	46.23	kJ/mol	Joback Calculated Property
ΔvapH°	97.10	kJ/mol	Joback Calculated Property
log10WS	-5.61		Crippen Calculated Property
logPoct/wat	3.437		Crippen Calculated Property
McVol	249.260	ml/mol	McGowan Calculated Property
Pc	2019.95	kPa	Joback Calculated Property
Inp	[3069.00; 3069.00]
Inp	3069.00		NIST
Inp	3069.00		NIST
Tboil	983.96	K	Joback Calculated Property
Tc	1231.84	K	Joback Calculated Property
Tfus	670.95	K	Joback Calculated Property
Vc	0.958	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.15; 796.34]	J/mol×K	[983.96; 1231.84]
Cp,gas	759.15	J/mol×K	983.96	Joback Calculated Property
Cp,gas	768.79	J/mol×K	1025.27	Joback Calculated Property
Cp,gas	777.02	J/mol×K	1066.59	Joback Calculated Property
Cp,gas	783.86	J/mol×K	1107.90	Joback Calculated Property
Cp,gas	789.34	J/mol×K	1149.22	Joback Calculated Property
Cp,gas	793.49	J/mol×K	1190.53	Joback Calculated Property
Cp,gas	796.34	J/mol×K	1231.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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