Chemical Properties of Glutaric acid, 3-chlorophenyl 3-nitrobenzyl ester

InChI

InChI=1S/C18H16ClNO6/c19-14-5-2-7-16(11-14)26-18(22)9-3-8-17(21)25-12-13-4-1-6-15(10-13)20(23)24/h1-2,4-7,10-11H,3,8-9,12H2

InChI Key

KFXCOUACLFYBNQ-UHFFFAOYSA-N

Formula

C18H16ClNO6

SMILES

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

Molecular Weight¹

377.78

• 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°	-137.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-480.83	kJ/mol	Joback Calculated Property
ΔfusH°	50.81	kJ/mol	Joback Calculated Property
ΔvapH°	100.83	kJ/mol	Joback Calculated Property
log10WS	-5.77		Crippen Calculated Property
logPoct/wat	4.067		Crippen Calculated Property
McVol	261.500	ml/mol	McGowan Calculated Property
Pc	1980.59	kPa	Joback Calculated Property
Inp	[3085.00; 3085.00]
Inp	3085.00		NIST
Inp	3085.00		NIST
Tboil	1016.41	K	Joback Calculated Property
Tc	1266.82	K	Joback Calculated Property
Tfus	688.35	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.05; 808.88]	J/mol×K	[1016.41; 1266.82]
Cp,gas	778.05	J/mol×K	1016.41	Joback Calculated Property
Cp,gas	786.42	J/mol×K	1058.14	Joback Calculated Property
Cp,gas	793.44	J/mol×K	1099.88	Joback Calculated Property
Cp,gas	799.15	J/mol×K	1141.61	Joback Calculated Property
Cp,gas	803.59	J/mol×K	1183.35	Joback Calculated Property
Cp,gas	806.82	J/mol×K	1225.08	Joback Calculated Property
Cp,gas	808.88	J/mol×K	1266.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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