Chemical Properties of Glutaric acid, 3-nitro-4-methoxybenzyl tridecyl ester

InChI

InChI=1S/C26H41NO7/c1-3-4-5-6-7-8-9-10-11-12-13-19-33-25(28)15-14-16-26(29)34-21-22-17-18-24(32-2)23(20-22)27(30)31/h17-18,20H,3-16,19,21H2,1-2H3

InChI Key

MERKDBBHBTYQTR-UHFFFAOYSA-N

Formula

C26H41NO7

SMILES

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

Molecular Weight¹

479.61

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.3737		Relay (1.0) Calculated Property
ΔfG°	-276.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1071.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.48	kJ/mol	Joback Calculated Property
ΔvapH°	133.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-6.86		Relay (1.0) Calculated Property
logPoct/wat	6.671		Crippen Calculated Property
McVol	391.610	ml/mol	McGowan Calculated Property
Pc	903.97	kPa	Joback Calculated Property
Inp	[3712.00; 3712.00]
Inp	3712.00		NIST
Inp	3712.00		NIST
Tboil	713.02	K	Relay (1.0) Calculated Property
Tc	944.88	K	Relay (1.0) Calculated Property
Tfus	325.63	K	Relay (1.0) Calculated Property
Vc	1.453	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1374.27; 1405.76]	J/mol×K	[1157.76; 1430.28]
Cp,gas	1374.27	J/mol×K	1157.76	Joback Calculated Property
Cp,gas	1385.34	J/mol×K	1203.18	Joback Calculated Property
Cp,gas	1393.97	J/mol×K	1248.60	Joback Calculated Property
Cp,gas	1400.20	J/mol×K	1294.02	Joback Calculated Property
Cp,gas	1404.11	J/mol×K	1339.44	Joback Calculated Property
Cp,gas	1405.76	J/mol×K	1384.86	Joback Calculated Property
Cp,gas	1405.20	J/mol×K	1430.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-nitro-4-methoxybenzyl tridecyl ester.

Sources

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

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