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

InChI

InChI=1S/C26H33NO6/c1-3-4-5-6-7-8-9-12-17-32-25(28)22-13-10-11-14-23(22)26(29)33-19-21-16-15-20(2)24(18-21)27(30)31/h10-11,13-16,18H,3-9,12,17,19H2,1-2H3

InChI Key

OGQKDSNAWBKEGT-UHFFFAOYSA-N

Formula

C26H33NO6

SMILES

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

Molecular Weight¹

455.54

• 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°	-68.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-641.68	kJ/mol	Joback Calculated Property
ΔfusH°	66.95	kJ/mol	Joback Calculated Property
ΔvapH°	114.91	kJ/mol	Joback Calculated Property
log10WS	-8.96		Crippen Calculated Property
logPoct/wat	6.558		Crippen Calculated Property
McVol	361.980	ml/mol	McGowan Calculated Property
Pc	1116.31	kPa	Joback Calculated Property
Inp	[3794.00; 3794.00]
Inp	3794.00		NIST
Inp	3794.00		NIST
Tboil	1167.00	K	Joback Calculated Property
Tc	1429.24	K	Joback Calculated Property
Tfus	761.11	K	Joback Calculated Property
Vc	1.405	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1229.55; 1260.86]	J/mol×K	[1167.00; 1429.24]
Cp,gas	1229.55	J/mol×K	1167.00	Joback Calculated Property
Cp,gas	1238.93	J/mol×K	1210.71	Joback Calculated Property
Cp,gas	1246.54	J/mol×K	1254.41	Joback Calculated Property
Cp,gas	1252.46	J/mol×K	1298.12	Joback Calculated Property
Cp,gas	1256.76	J/mol×K	1341.82	Joback Calculated Property
Cp,gas	1259.53	J/mol×K	1385.53	Joback Calculated Property
Cp,gas	1260.86	J/mol×K	1429.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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