Chemical Properties of Glutaric acid, 2,2-dichloroethyl diphenylmethyl ester

InChI

InChI=1S/C20H20Cl2O4/c21-17(22)14-25-18(23)12-7-13-19(24)26-20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,20H,7,12-14H2

InChI Key

PFXPMXQLJJAOLO-UHFFFAOYSA-N

Formula

C20H20Cl2O4

SMILES

O=C(CCCC(=O)OC(c1ccccc1)c1ccccc1)OCC(Cl)Cl

Molecular Weight¹

395.28

• 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).
• 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°	45.72	kJ/mol	Joback Calculated Property
logPoct/wat	4.836		Crippen Calculated Property
McVol	284.500	ml/mol	McGowan Calculated Property
Inp	[2783.00; 2783.00]
Inp	2783.00		NIST
Inp	2783.00		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, 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	[374.10; 847.93]	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			-9.86600e+00
Coefficient B			1.66180e+00
Coefficient C			-9.84600e-04
Coefficient D			1.80600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.10	J/mol×K	273.00	Calculated Property
Cp,gas	462.81	J/mol×K	353.78	Calculated Property
Cp,gas	541.17	J/mol×K	434.56	Calculated Property
Cp,gas	609.75	J/mol×K	515.33	Calculated Property
Cp,gas	669.13	J/mol×K	596.11	Calculated Property
Cp,gas	719.88	J/mol×K	676.89	Calculated Property
Cp,gas	762.56	J/mol×K	757.67	Calculated Property
Cp,gas	797.75	J/mol×K	838.44	Calculated Property
Cp,gas	826.02	J/mol×K	919.22	Calculated Property
Cp,gas	847.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007222; 0.0000437]	Pa×s	[482.50; 792.91]	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			-1.44004e+01
Coefficient B			3.45820e+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.			482.50
Temperature range, max.			792.91
η	0.0007222	Pa×s	482.50	Calculated Property
η	0.0004477	Pa×s	516.99	Calculated Property
η	0.0002947	Pa×s	551.48	Calculated Property
η	0.0002037	Pa×s	585.97	Calculated Property
η	0.0001467	Pa×s	620.46	Calculated Property
η	0.0001094	Pa×s	654.95	Calculated Property
η	0.0000840	Pa×s	689.44	Calculated Property
η	0.0000662	Pa×s	723.93	Calculated Property
η	0.0000532	Pa×s	758.42	Calculated Property
η	0.0000437	Pa×s	792.91	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl diphenylmethyl 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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