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_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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-723.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.11	kJ/mol	Joback Calculated Property
ΔvapH°	133.14	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.33		Relay (1.0) Calculated Property
logPoct/wat	6.558		Crippen Calculated Property
McVol	361.980	ml/mol	McGowan Calculated Property
Pc	1057.57	kPa	Joback Calculated Property
Inp	[3794.00; 3794.00]
Inp	3794.00		NIST
Inp	3794.00		NIST
Tboil	712.67	K	Relay (1.0) Calculated Property
Tfus	293.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1217.57; 1246.59]	J/mol×K	[1131.06; 1384.76]
Cp,gas	1217.57	J/mol×K	1131.06	Joback Calculated Property
Cp,gas	1226.67	J/mol×K	1173.34	Joback Calculated Property
Cp,gas	1233.95	J/mol×K	1215.63	Joback Calculated Property
Cp,gas	1239.51	J/mol×K	1257.91	Joback Calculated Property
Cp,gas	1243.41	J/mol×K	1300.19	Joback Calculated Property
Cp,gas	1245.74	J/mol×K	1342.47	Joback Calculated Property
Cp,gas	1246.59	J/mol×K	1384.76	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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