Chemical Properties of Glutaric acid, 2-nitro-3-chlorobenzyl tridecyl ester

InChI

InChI=1S/C25H38ClNO6/c1-2-3-4-5-6-7-8-9-10-11-12-19-32-23(28)17-14-18-24(29)33-20-21-15-13-16-22(26)25(21)27(30)31/h13,15-16H,2-12,14,17-20H2,1H3

InChI Key

POGLTADSTRKPMI-UHFFFAOYSA-N

Formula

C25H38ClNO6

SMILES

CCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cccc(Cl)c1[N+](=O)[O-]

Molecular Weight¹

484.02

• 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	1.3058		Relay (1.0) Calculated Property
ΔfG°	-191.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-965.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.90	kJ/mol	Joback Calculated Property
ΔvapH°	133.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	7.316		Crippen Calculated Property
McVol	383.890	ml/mol	McGowan Calculated Property
Pc	946.75	kPa	Joback Calculated Property
Inp	[3516.00; 3516.00]
Inp	3516.00		NIST
Inp	3516.00		NIST
Tboil	703.48	K	Relay (1.0) Calculated Property
Tc	950.08	K	Relay (1.0) Calculated Property
Tfus	314.68	K	Relay (1.0) Calculated Property
Vc	1.414	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1308.72; 1351.40]	J/mol×K	[1149.89; 1415.18]
Cp,gas	1308.72	J/mol×K	1149.89	Joback Calculated Property
Cp,gas	1320.33	J/mol×K	1194.10	Joback Calculated Property
Cp,gas	1330.02	J/mol×K	1238.32	Joback Calculated Property
Cp,gas	1337.89	J/mol×K	1282.53	Joback Calculated Property
Cp,gas	1344.02	J/mol×K	1326.75	Joback Calculated Property
Cp,gas	1348.50	J/mol×K	1370.96	Joback Calculated Property
Cp,gas	1351.40	J/mol×K	1415.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-nitro-3-chlorobenzyl tridecyl ester.

Sources

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

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