Chemical Properties of Glutaric acid, di(2-nitro-4-chlorobenzyl) ester

InChI

InChI=1S/C19H16Cl2N2O8/c20-14-6-4-12(16(8-14)22(26)27)10-30-18(24)2-1-3-19(25)31-11-13-5-7-15(21)9-17(13)23(28)29/h4-9H,1-3,10-11H2

InChI Key

IZBYWVXGZMABKC-UHFFFAOYSA-N

Formula

C19H16Cl2N2O8

SMILES

O=C(CCCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])OCc1ccc(Cl)cc1[N+](=O)[O-]

Molecular Weight¹

471.25

• 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°	-125.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-550.91	kJ/mol	Joback Calculated Property
ΔfusH°	68.18	kJ/mol	Joback Calculated Property
ΔvapH°	125.35	kJ/mol	Joback Calculated Property
log10WS	-7.37		Crippen Calculated Property
logPoct/wat	4.767		Crippen Calculated Property
McVol	305.250	ml/mol	McGowan Calculated Property
Pc	1739.01	kPa	Joback Calculated Property
Inp	[3607.00; 3607.00]
Inp	3607.00		NIST
Inp	3607.00		NIST
Tboil	1238.52	K	Joback Calculated Property
Tc	1518.57	K	Joback Calculated Property
Tfus	898.19	K	Joback Calculated Property
Vc	1.194	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[893.97; 910.20]	J/mol×K	[1238.52; 1518.57]
Cp,gas	908.82	J/mol×K	1238.52	Joback Calculated Property
Cp,gas	910.20	J/mol×K	1285.20	Joback Calculated Property
Cp,gas	909.95	J/mol×K	1331.87	Joback Calculated Property
Cp,gas	908.15	J/mol×K	1378.55	Joback Calculated Property
Cp,gas	904.84	J/mol×K	1425.22	Joback Calculated Property
Cp,gas	900.10	J/mol×K	1471.90	Joback Calculated Property
Cp,gas	893.97	J/mol×K	1518.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-nitro-4-chlorobenzyl) ester.

Sources

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

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