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

InChI

InChI=1S/C22H25NO7/c1-3-4-5-8-13-29-21(24)17-9-6-7-10-18(17)22(25)30-15-16-11-12-19(23(26)27)20(14-16)28-2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3

InChI Key

FLZYRSJAXLMYOF-UHFFFAOYSA-N

Formula

C22H25NO7

SMILES

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

Molecular Weight¹

415.44

• 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°	-207.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.34	kJ/mol	Joback Calculated Property
ΔfusH°	57.77	kJ/mol	Joback Calculated Property
ΔvapH°	108.42	kJ/mol	Joback Calculated Property
log10WS	-6.93		Crippen Calculated Property
logPoct/wat	4.697		Crippen Calculated Property
McVol	311.490	ml/mol	McGowan Calculated Property
Pc	1450.14	kPa	Joback Calculated Property
Inp	[3685.00; 3685.00]
Inp	3685.00		NIST
Inp	3685.00		NIST
Tboil	1097.90	K	Joback Calculated Property
Tc	1347.03	K	Joback Calculated Property
Tfus	738.26	K	Joback Calculated Property
Vc	1.200	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.99; 1036.04]	J/mol×K	[1097.90; 1347.03]
Cp,gas	1013.99	J/mol×K	1097.90	Joback Calculated Property
Cp,gas	1021.95	J/mol×K	1139.42	Joback Calculated Property
Cp,gas	1028.11	J/mol×K	1180.94	Joback Calculated Property
Cp,gas	1032.49	J/mol×K	1222.47	Joback Calculated Property
Cp,gas	1035.12	J/mol×K	1263.99	Joback Calculated Property
Cp,gas	1036.04	J/mol×K	1305.51	Joback Calculated Property
Cp,gas	1035.26	J/mol×K	1347.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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