Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 3-nitrobenzyl ester

InChI

InChI=1S/C18H14Cl3NO6/c19-12-8-14(20)18(15(21)9-12)28-17(24)6-2-5-16(23)27-10-11-3-1-4-13(7-11)22(25)26/h1,3-4,7-9H,2,5-6,10H2

InChI Key

XGDIQGXFASPMQQ-UHFFFAOYSA-N

Formula

C18H14Cl3NO6

SMILES

O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

446.67

• 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	1.0149		Relay (1.0) Calculated Property
ΔfG°	-181.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-592.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.43	kJ/mol	Joback Calculated Property
ΔvapH°	131.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-6.19		Relay (1.0) Calculated Property
logPoct/wat	5.374		Crippen Calculated Property
McVol	285.980	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[3364.00; 3364.00]
Inp	3364.00		NIST
Inp	3364.00		NIST
Tboil	673.28	K	Relay (1.0) Calculated Property
Tc	1010.71	K	Relay (1.0) Calculated Property
Tfus	341.10	K	Relay (1.0) Calculated Property
Vc	1.006	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[802.61; 814.87]	J/mol×K	[1101.23; 1360.85]
Cp,gas	802.61	J/mol×K	1101.23	Joback Calculated Property
Cp,gas	807.76	J/mol×K	1144.50	Joback Calculated Property
Cp,gas	811.49	J/mol×K	1187.77	Joback Calculated Property
Cp,gas	813.85	J/mol×K	1231.04	Joback Calculated Property
Cp,gas	814.87	J/mol×K	1274.31	Joback Calculated Property
Cp,gas	814.58	J/mol×K	1317.58	Joback Calculated Property
Cp,gas	813.03	J/mol×K	1360.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 3-nitrobenzyl ester.

Sources

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

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