Chemical Properties of Glutaric acid, monochloride, 3-chlorophenyl ester

InChI

InChI=1S/C11H10Cl2O3/c12-8-3-1-4-9(7-8)16-11(15)6-2-5-10(13)14/h1,3-4,7H,2,5-6H2

InChI Key

GAWPHQWVXUGOGJ-UHFFFAOYSA-N

Formula

C11H10Cl2O3

SMILES

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

Molecular Weight¹

261.10

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[228.20; 478.93]	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			3.18330e+01
Coefficient B			8.41200e-01
Coefficient C			-4.66260e-04
Coefficient D			7.21600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.20	J/mol×K	273.00	Calculated Property
Cp,gas	274.27	J/mol×K	353.78	Calculated Property
Cp,gas	315.25	J/mol×K	434.56	Calculated Property
Cp,gas	351.38	J/mol×K	515.33	Calculated Property
Cp,gas	382.88	J/mol×K	596.11	Calculated Property
Cp,gas	409.98	J/mol×K	676.89	Calculated Property
Cp,gas	432.91	J/mol×K	757.67	Calculated Property
Cp,gas	451.89	J/mol×K	838.44	Calculated Property
Cp,gas	467.15	J/mol×K	919.22	Calculated Property
Cp,gas	478.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015605; 0.0002098]	Pa×s	[404.77; 624.73]	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			-1.21621e+01
Coefficient B			2.30691e+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.			404.77
Temperature range, max.			624.73
η	0.0015605	Pa×s	404.77	Calculated Property
η	0.0011280	Pa×s	429.21	Calculated Property
η	0.0008444	Pa×s	453.65	Calculated Property
η	0.0006511	Pa×s	478.09	Calculated Property
η	0.0005149	Pa×s	502.53	Calculated Property
η	0.0004162	Pa×s	526.97	Calculated Property
η	0.0003428	Pa×s	551.41	Calculated Property
η	0.0002870	Pa×s	575.85	Calculated Property
η	0.0002438	Pa×s	600.29	Calculated Property
η	0.0002098	Pa×s	624.73	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monochloride, 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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