Chemical Properties of Glutaric acid, 4-methyl-3-nitrobenzyl tridecyl ester

InChI

InChI=1S/C26H41NO6/c1-3-4-5-6-7-8-9-10-11-12-13-19-32-25(28)15-14-16-26(29)33-21-23-18-17-22(2)24(20-23)27(30)31/h17-18,20H,3-16,19,21H2,1-2H3

InChI Key

BVTPZWWYVSBMRM-UHFFFAOYSA-N

Formula

C26H41NO6

SMILES

CCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1ccc(C)c([N+](=O)[O-])c1

Molecular Weight¹

463.61

• 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°	-171.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-866.74	kJ/mol	Joback Calculated Property
ΔfusH°	73.29	kJ/mol	Joback Calculated Property
ΔvapH°	111.97	kJ/mol	Joback Calculated Property
log10WS	-8.74		Crippen Calculated Property
logPoct/wat	6.971		Crippen Calculated Property
McVol	385.740	ml/mol	McGowan Calculated Property
Pc	913.29	kPa	Joback Calculated Property
Inp	[3505.00; 3505.00]
Inp	3505.00		NIST
Inp	3505.00		NIST
Tboil	1135.34	K	Joback Calculated Property
Tc	1398.10	K	Joback Calculated Property
Tfus	722.17	K	Joback Calculated Property
Vc	1.514	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1351.25; 1401.47]	J/mol×K	[1135.34; 1398.10]
Cp,gas	1351.25	J/mol×K	1135.34	Joback Calculated Property
Cp,gas	1364.32	J/mol×K	1179.13	Joback Calculated Property
Cp,gas	1375.40	J/mol×K	1222.93	Joback Calculated Property
Cp,gas	1384.57	J/mol×K	1266.72	Joback Calculated Property
Cp,gas	1391.92	J/mol×K	1310.51	Joback Calculated Property
Cp,gas	1397.52	J/mol×K	1354.31	Joback Calculated Property
Cp,gas	1401.47	J/mol×K	1398.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-methyl-3-nitrobenzyl tridecyl ester.

Sources

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

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