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

InChI

InChI=1S/C21H23NO7/c1-3-4-7-12-28-20(23)16-8-5-6-9-17(16)21(24)29-14-15-10-11-18(22(25)26)19(13-15)27-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3

InChI Key

NMDVSUSBWNUGCD-UHFFFAOYSA-N

Formula

C21H23NO7

SMILES

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

Molecular Weight¹

401.41

• 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°	-215.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-670.70	kJ/mol	Joback Calculated Property
ΔfusH°	55.18	kJ/mol	Joback Calculated Property
ΔvapH°	106.19	kJ/mol	Joback Calculated Property
log10WS	-6.51		Crippen Calculated Property
logPoct/wat	4.307		Crippen Calculated Property
McVol	297.400	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[3588.00; 3588.00]
Inp	3588.00		NIST
Inp	3588.00		NIST
Tboil	1075.02	K	Joback Calculated Property
Tc	1322.11	K	Joback Calculated Property
Tfus	726.99	K	Joback Calculated Property
Vc	1.143	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[955.69; 979.17]	J/mol×K	[1075.02; 1322.11]
Cp,gas	955.69	J/mol×K	1075.02	Joback Calculated Property
Cp,gas	963.82	J/mol×K	1116.20	Joback Calculated Property
Cp,gas	970.21	J/mol×K	1157.38	Joback Calculated Property
Cp,gas	974.88	J/mol×K	1198.56	Joback Calculated Property
Cp,gas	977.86	J/mol×K	1239.75	Joback Calculated Property
Cp,gas	979.17	J/mol×K	1280.93	Joback Calculated Property
Cp,gas	978.83	J/mol×K	1322.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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