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

InChI

InChI=1S/C14H16ClNO6/c1-2-21-12(17)7-4-8-13(18)22-9-10-5-3-6-11(15)14(10)16(19)20/h3,5-6H,2,4,7-9H2,1H3

InChI Key

LZVRKUINWUQSMV-UHFFFAOYSA-N

Formula

C14H16ClNO6

SMILES

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

Molecular Weight¹

329.73

• 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	0.8793		Relay (1.0) Calculated Property
ΔfG°	-284.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-728.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.41	kJ/mol	Joback Calculated Property
ΔvapH°	98.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-3.83		Relay (1.0) Calculated Property
logPoct/wat	3.025		Crippen Calculated Property
McVol	228.900	ml/mol	McGowan Calculated Property
Pc	2077.43	kPa	Joback Calculated Property
Inp	[2365.00; 2365.00]
Inp	2365.00		NIST
Inp	2365.00		NIST
Tboil	626.84	K	Relay (1.0) Calculated Property
Tc	871.92	K	Relay (1.0) Calculated Property
Tfus	303.40	K	Relay (1.0) Calculated Property
Vc	0.822	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.45; 706.97]	J/mol×K	[898.21; 1127.74]
Cp,gas	661.45	J/mol×K	898.21	Joback Calculated Property
Cp,gas	671.81	J/mol×K	936.46	Joback Calculated Property
Cp,gas	681.04	J/mol×K	974.72	Joback Calculated Property
Cp,gas	689.17	J/mol×K	1012.97	Joback Calculated Property
Cp,gas	696.19	J/mol×K	1051.23	Joback Calculated Property
Cp,gas	702.12	J/mol×K	1089.48	Joback Calculated Property
Cp,gas	706.97	J/mol×K	1127.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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