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

InChI

InChI=1S/C19H19NO7/c1-3-10-26-18(21)14-6-4-5-7-15(14)19(22)27-12-13-8-9-16(20(23)24)17(11-13)25-2/h4-9,11H,3,10,12H2,1-2H3

InChI Key

CFVINQBUUWIQAP-UHFFFAOYSA-N

Formula

C19H19NO7

SMILES

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

Molecular Weight¹

373.36

• 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	1.0183		Relay (1.0) Calculated Property
ΔfG°	-232.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-687.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.00	kJ/mol	Joback Calculated Property
ΔvapH°	108.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	3.527		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Pc	1829.41	kPa	Joback Calculated Property
Inp	[3279.00; 3279.00]
Inp	3279.00		NIST
Inp	3279.00		NIST
Tboil	677.27	K	Relay (1.0) Calculated Property
Tc	963.03	K	Relay (1.0) Calculated Property
Tfus	314.16	K	Relay (1.0) Calculated Property
Vc	0.974	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[840.15; 866.19]	J/mol×K	[1029.26; 1275.28]
Cp,gas	840.15	J/mol×K	1029.26	Joback Calculated Property
Cp,gas	848.55	J/mol×K	1070.26	Joback Calculated Property
Cp,gas	855.31	J/mol×K	1111.27	Joback Calculated Property
Cp,gas	860.44	J/mol×K	1152.27	Joback Calculated Property
Cp,gas	863.96	J/mol×K	1193.27	Joback Calculated Property
Cp,gas	865.87	J/mol×K	1234.28	Joback Calculated Property
Cp,gas	866.19	J/mol×K	1275.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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