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

InChI

InChI=1S/C21H30ClNO6/c1-2-3-4-5-6-7-8-15-28-19(24)13-10-14-20(25)29-16-17-11-9-12-18(22)21(17)23(26)27/h9,11-12H,2-8,10,13-16H2,1H3

InChI Key

JLIDGJZHLJGFIY-UHFFFAOYSA-N

Formula

C21H30ClNO6

SMILES

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

Molecular Weight¹

427.92

• 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	1.1598		Relay (1.0) Calculated Property
ΔfG°	-225.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-875.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.54	kJ/mol	Joback Calculated Property
ΔvapH°	118.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	5.756		Crippen Calculated Property
McVol	327.530	ml/mol	McGowan Calculated Property
Pc	1217.44	kPa	Joback Calculated Property
Inp	[3084.00; 3084.00]
Inp	3084.00		NIST
Inp	3084.00		NIST
Tboil	676.08	K	Relay (1.0) Calculated Property
Tc	923.65	K	Relay (1.0) Calculated Property
Tfus	305.38	K	Relay (1.0) Calculated Property
Vc	1.196	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1067.03; 1112.96]	J/mol×K	[1058.37; 1295.91]
Cp,gas	1067.03	J/mol×K	1058.37	Joback Calculated Property
Cp,gas	1078.26	J/mol×K	1097.96	Joback Calculated Property
Cp,gas	1088.01	J/mol×K	1137.55	Joback Calculated Property
Cp,gas	1096.30	J/mol×K	1177.14	Joback Calculated Property
Cp,gas	1103.20	J/mol×K	1216.73	Joback Calculated Property
Cp,gas	1108.74	J/mol×K	1256.32	Joback Calculated Property
Cp,gas	1112.96	J/mol×K	1295.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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