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

InChI

InChI=1S/C18H15Cl2NO6/c19-14-6-2-7-15(18(14)20)27-17(23)9-3-8-16(22)26-11-12-4-1-5-13(10-12)21(24)25/h1-2,4-7,10H,3,8-9,11H2

InChI Key

ACCSGQRHDZUARM-UHFFFAOYSA-N

Formula

C18H15Cl2NO6

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

412.22

• 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°	-159.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-508.04	kJ/mol	Joback Calculated Property
ΔfusH°	54.62	kJ/mol	Joback Calculated Property
ΔvapH°	105.87	kJ/mol	Joback Calculated Property
log10WS	-6.45		Crippen Calculated Property
logPoct/wat	4.721		Crippen Calculated Property
McVol	273.740	ml/mol	McGowan Calculated Property
Pc	1892.00	kPa	Joback Calculated Property
Inp	[3253.00; 3253.00]
Inp	3253.00		NIST
Inp	3253.00		NIST
Tboil	1058.82	K	Joback Calculated Property
Tc	1313.59	K	Joback Calculated Property
Tfus	730.79	K	Joback Calculated Property
Vc	1.056	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[791.35; 812.26]	J/mol×K	[1058.82; 1313.59]
Cp,gas	791.35	J/mol×K	1058.82	Joback Calculated Property
Cp,gas	798.13	J/mol×K	1101.28	Joback Calculated Property
Cp,gas	803.54	J/mol×K	1143.74	Joback Calculated Property
Cp,gas	807.62	J/mol×K	1186.20	Joback Calculated Property
Cp,gas	810.40	J/mol×K	1228.66	Joback Calculated Property
Cp,gas	811.94	J/mol×K	1271.13	Joback Calculated Property
Cp,gas	812.26	J/mol×K	1313.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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