Chemical Properties of Glutaric acid, 2,2-dichloroethyl 4-nitrophenyl ester

InChI

InChI=1S/C13H13Cl2NO6/c14-11(15)8-21-12(17)2-1-3-13(18)22-10-6-4-9(5-7-10)16(19)20/h4-7,11H,1-3,8H2

InChI Key

XLCJGZMESMSUOV-UHFFFAOYSA-N

Formula

C13H13Cl2NO6

SMILES

O=C(CCCC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC(Cl)Cl

Molecular Weight¹

350.15

• 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°	-297.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-623.71	kJ/mol	Joback Calculated Property
ΔfusH°	44.88	kJ/mol	Joback Calculated Property
ΔvapH°	90.75	kJ/mol	Joback Calculated Property
log10WS	-4.30		Crippen Calculated Property
logPoct/wat	3.017		Crippen Calculated Property
McVol	227.050	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[2613.00; 2613.00]
Inp	2613.00		NIST
Inp	2613.00		NIST
Tboil	907.34	K	Joback Calculated Property
Tc	1144.41	K	Joback Calculated Property
Tfus	607.98	K	Joback Calculated Property
Vc	0.877	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.36; 665.22]	J/mol×K	[907.34; 1144.41]
Cp,gas	627.36	J/mol×K	907.34	Joback Calculated Property
Cp,gas	636.40	J/mol×K	946.85	Joback Calculated Property
Cp,gas	644.32	J/mol×K	986.36	Joback Calculated Property
Cp,gas	651.14	J/mol×K	1025.88	Joback Calculated Property
Cp,gas	656.88	J/mol×K	1065.39	Joback Calculated Property
Cp,gas	661.57	J/mol×K	1104.90	Joback Calculated Property
Cp,gas	665.22	J/mol×K	1144.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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