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

InChI

InChI=1S/C18H17NO7/c1-3-25-17(20)13-6-4-5-7-14(13)18(21)26-11-12-8-9-15(19(22)23)16(10-12)24-2/h4-10H,3,11H2,1-2H3

InChI Key

VWHBAXLHQKWNFW-UHFFFAOYSA-N

Formula

C18H17NO7

SMILES

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

Molecular Weight¹

359.33

• 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°	-240.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-608.78	kJ/mol	Joback Calculated Property
ΔfusH°	47.41	kJ/mol	Joback Calculated Property
ΔvapH°	99.51	kJ/mol	Joback Calculated Property
log10WS	-5.26		Crippen Calculated Property
logPoct/wat	3.137		Crippen Calculated Property
McVol	255.130	ml/mol	McGowan Calculated Property
Pc	1989.43	kPa	Joback Calculated Property
Inp	[3176.00; 3176.00]
Inp	3176.00		NIST
Inp	3176.00		NIST
Tboil	1006.38	K	Joback Calculated Property
Tc	1253.28	K	Joback Calculated Property
Tfus	693.18	K	Joback Calculated Property
Vc	0.976	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[783.02; 810.08]	J/mol×K	[1006.38; 1253.28]
Cp,gas	783.02	J/mol×K	1006.38	Joback Calculated Property
Cp,gas	791.51	J/mol×K	1047.53	Joback Calculated Property
Cp,gas	798.40	J/mol×K	1088.68	Joback Calculated Property
Cp,gas	803.69	J/mol×K	1129.83	Joback Calculated Property
Cp,gas	807.40	J/mol×K	1170.98	Joback Calculated Property
Cp,gas	809.53	J/mol×K	1212.13	Joback Calculated Property
Cp,gas	810.08	J/mol×K	1253.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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