Chemical Properties of Glutaric acid, 2,2-dichloroethyl 3-chlorophenyl ester

InChI

InChI=1S/C13H13Cl3O4/c14-9-3-1-4-10(7-9)20-13(18)6-2-5-12(17)19-8-11(15)16/h1,3-4,7,11H,2,5-6,8H2

InChI Key

LWSQGNIVZWGJIE-UHFFFAOYSA-N

Formula

C13H13Cl3O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCC(Cl)Cl

Molecular Weight¹

339.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.88	kJ/mol	Joback Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	3.763		Crippen Calculated Property
McVol	221.870	ml/mol	McGowan Calculated Property
Inp	[2318.00; 2318.00]
Inp	2318.00		NIST
Inp	2318.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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	[299.13; 610.01]	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			5.92740e+01
Coefficient B			1.01710e+00
Coefficient C			-5.22760e-04
Coefficient D			5.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.13	J/mol×K	273.00	Calculated Property
Cp,gas	356.17	J/mol×K	353.78	Calculated Property
Cp,gas	407.17	J/mol×K	434.56	Calculated Property
Cp,gas	452.31	J/mol×K	515.33	Calculated Property
Cp,gas	491.76	J/mol×K	596.11	Calculated Property
Cp,gas	525.71	J/mol×K	676.89	Calculated Property
Cp,gas	554.33	J/mol×K	757.67	Calculated Property
Cp,gas	577.80	J/mol×K	838.44	Calculated Property
Cp,gas	596.31	J/mol×K	919.22	Calculated Property
Cp,gas	610.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011264; 0.0001042]	Pa×s	[434.63; 682.64]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.33412e+01
Coefficient B			2.84790e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			434.63
Temperature range, max.			682.64
η	0.0011264	Pa×s	434.63	Calculated Property
η	0.0007621	Pa×s	462.19	Calculated Property
η	0.0005388	Pa×s	489.74	Calculated Property
η	0.0003953	Pa×s	517.30	Calculated Property
η	0.0002992	Pa×s	544.86	Calculated Property
η	0.0002327	Pa×s	572.41	Calculated Property
η	0.0001851	Pa×s	599.97	Calculated Property
η	0.0001503	Pa×s	627.52	Calculated Property
η	0.0001242	Pa×s	655.08	Calculated Property
η	0.0001042	Pa×s	682.64	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 3-chlorophenyl 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

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