Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 3-nitrobenzyl ester

InChI

InChI=1S/C18H15Cl2NO6/c19-14-6-2-7-15(18(14)20)27-17(23)9-3-8-16(22)26-11-12-4-1-5-13(10-12)21(24)25/h1-2,4-7,10H,3,8-9,11H2

InChI Key

ACCSGQRHDZUARM-UHFFFAOYSA-N

Formula

C18H15Cl2NO6

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

412.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	57.78	kJ/mol	Joback Calculated Property
logPoct/wat	4.721		Crippen Calculated Property
McVol	273.740	ml/mol	McGowan Calculated Property
Inp	[3253.00; 3253.00]
Inp	3253.00		NIST
Inp	3253.00		NIST
Tfus	340.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[367.12; 780.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.37040e+01
Coefficient B			1.38086e+00
Coefficient C			-7.46680e-04
Coefficient D			1.02900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.12	J/mol×K	273.00	Calculated Property
Cp,gas	443.32	J/mol×K	353.78	Calculated Property
Cp,gas	511.21	J/mol×K	434.56	Calculated Property
Cp,gas	571.10	J/mol×K	515.33	Calculated Property
Cp,gas	623.32	J/mol×K	596.11	Calculated Property
Cp,gas	668.19	J/mol×K	676.89	Calculated Property
Cp,gas	706.05	J/mol×K	757.67	Calculated Property
Cp,gas	737.22	J/mol×K	838.44	Calculated Property
Cp,gas	762.02	J/mol×K	919.22	Calculated Property
Cp,gas	780.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 3-nitrobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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