Chemical Properties of Glutaric acid, monochloride, 2,6-dichlorophenyl ester

InChI

InChI=1S/C11H9Cl3O3/c12-7-3-1-4-8(13)11(7)17-10(16)6-2-5-9(14)15/h1,3-4H,2,5-6H2

InChI Key

SWSYWKQHHPQPPY-UHFFFAOYSA-N

Formula

C11H9Cl3O3

SMILES

O=C(Cl)CCCC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

295.55

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	36.07	kJ/mol	Joback Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
logPoct/wat	3.834		Crippen Calculated Property
McVol	187.820	ml/mol	McGowan Calculated Property
Inp	[2017.00; 2017.00]
Inp	2017.00		NIST
Inp	2017.00		NIST
Tboil	564.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[244.15; 484.16]	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			5.90230e+01
Coefficient B			7.88500e-01
Coefficient C			-4.19620e-04
Coefficient D			5.62600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.15	J/mol×K	273.00	Calculated Property
Cp,gas	287.95	J/mol×K	353.78	Calculated Property
Cp,gas	327.05	J/mol×K	434.56	Calculated Property
Cp,gas	361.63	J/mol×K	515.33	Calculated Property
Cp,gas	391.86	J/mol×K	596.11	Calculated Property
Cp,gas	417.94	J/mol×K	676.89	Calculated Property
Cp,gas	440.03	J/mol×K	757.67	Calculated Property
Cp,gas	458.31	J/mol×K	838.44	Calculated Property
Cp,gas	472.96	J/mol×K	919.22	Calculated Property
Cp,gas	484.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011013; 0.0001946]	Pa×s	[447.21; 657.04]	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			-1.22382e+01
Coefficient B			2.42697e+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.			447.21
Temperature range, max.			657.04
η	0.0011013	Pa×s	447.21	Calculated Property
η	0.0008416	Pa×s	470.52	Calculated Property
η	0.0006597	Pa×s	493.84	Calculated Property
η	0.0005286	Pa×s	517.15	Calculated Property
η	0.0004317	Pa×s	540.47	Calculated Property
η	0.0003586	Pa×s	563.78	Calculated Property
η	0.0003022	Pa×s	587.10	Calculated Property
η	0.0002581	Pa×s	610.41	Calculated Property
η	0.0002230	Pa×s	633.73	Calculated Property
η	0.0001946	Pa×s	657.04	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monochloride, 2,6-dichlorophenyl 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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