Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 2-nitrophenyl ester

InChI

InChI=1S/C17H12Cl3NO6/c18-10-8-11(19)17(12(20)9-10)27-16(23)7-3-6-15(22)26-14-5-2-1-4-13(14)21(24)25/h1-2,4-5,8-9H,3,6-7H2

InChI Key

PMFZTSVNEANZQA-UHFFFAOYSA-N

Formula

C17H12Cl3NO6

SMILES

O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1ccccc1[N+](=O)[O-]

Molecular Weight¹

432.64

• 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°	-189.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-514.61	kJ/mol	Joback Calculated Property
ΔfusH°	55.84	kJ/mol	Joback Calculated Property
ΔvapH°	108.69	kJ/mol	Joback Calculated Property
log10WS	-6.87		Crippen Calculated Property
logPoct/wat	5.236		Crippen Calculated Property
McVol	271.890	ml/mol	McGowan Calculated Property
Pc	1966.56	kPa	Joback Calculated Property
Inp	[3190.00; 3190.00]
Inp	3190.00		NIST
Inp	3190.00		NIST
Tboil	1078.35	K	Joback Calculated Property
Tc	1338.62	K	Joback Calculated Property
Tfus	761.96	K	Joback Calculated Property
Vc	1.048	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[746.10; 758.40]	J/mol×K	[1078.35; 1338.62]
Cp,gas	746.10	J/mol×K	1078.35	Joback Calculated Property
Cp,gas	751.22	J/mol×K	1121.73	Joback Calculated Property
Cp,gas	754.96	J/mol×K	1165.11	Joback Calculated Property
Cp,gas	757.34	J/mol×K	1208.48	Joback Calculated Property
Cp,gas	758.40	J/mol×K	1251.86	Joback Calculated Property
Cp,gas	758.16	J/mol×K	1295.24	Joback Calculated Property
Cp,gas	756.66	J/mol×K	1338.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 2-nitrophenyl ester.

Sources

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

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