Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 2-nitrophenyl ester

InChI

InChI=1S/C17H13Cl2NO6/c18-11-5-3-8-14(17(11)19)26-16(22)10-4-9-15(21)25-13-7-2-1-6-12(13)20(23)24/h1-3,5-8H,4,9-10H2

InChI Key

REOVEUZWALQAAY-UHFFFAOYSA-N

Formula

C17H13Cl2NO6

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)Oc1ccccc1[N+](=O)[O-]

Molecular Weight¹

398.19

• 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°	-167.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-487.40	kJ/mol	Joback Calculated Property
ΔfusH°	52.03	kJ/mol	Joback Calculated Property
ΔvapH°	103.65	kJ/mol	Joback Calculated Property
log10WS	-6.19		Crippen Calculated Property
logPoct/wat	4.583		Crippen Calculated Property
McVol	259.650	ml/mol	McGowan Calculated Property
Pc	2060.49	kPa	Joback Calculated Property
Inp	[3117.00; 3117.00]
Inp	3117.00		NIST
Inp	3117.00		NIST
Tboil	1035.94	K	Joback Calculated Property
Tc	1292.06	K	Joback Calculated Property
Tfus	719.52	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[734.75; 755.56]	J/mol×K	[1035.94; 1292.06]
Cp,gas	734.75	J/mol×K	1035.94	Joback Calculated Property
Cp,gas	741.48	J/mol×K	1078.63	Joback Calculated Property
Cp,gas	746.86	J/mol×K	1121.31	Joback Calculated Property
Cp,gas	750.92	J/mol×K	1164.00	Joback Calculated Property
Cp,gas	753.70	J/mol×K	1206.68	Joback Calculated Property
Cp,gas	755.23	J/mol×K	1249.37	Joback Calculated Property
Cp,gas	755.56	J/mol×K	1292.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 2-nitrophenyl ester.

Sources

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

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