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

InChI

InChI=1S/C15H18Cl2O4/c1-2-11-6-3-4-7-12(11)21-15(19)9-5-8-14(18)20-10-13(16)17/h3-4,6-7,13H,2,5,8-10H2,1H3

InChI Key

GBOQTHDVAQPBNL-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

CCc1ccccc1OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

333.21

• 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°	41.87	kJ/mol	Joback Calculated Property
logPoct/wat	3.672		Crippen Calculated Property
McVol	237.810	ml/mol	McGowan Calculated Property
Inp	[2254.00; 2254.00]
Inp	2254.00		NIST
Inp	2254.00		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	[328.15; 704.92]	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			4.45650e+01
Coefficient B			1.20032e+00
Coefficient C			-6.11160e-04
Coefficient D			7.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.15	J/mol×K	273.00	Calculated Property
Cp,gas	395.87	J/mol×K	353.78	Calculated Property
Cp,gas	456.60	J/mol×K	434.56	Calculated Property
Cp,gas	510.57	J/mol×K	515.33	Calculated Property
Cp,gas	558.00	J/mol×K	596.11	Calculated Property
Cp,gas	599.11	J/mol×K	676.89	Calculated Property
Cp,gas	634.13	J/mol×K	757.67	Calculated Property
Cp,gas	663.29	J/mol×K	838.44	Calculated Property
Cp,gas	686.82	J/mol×K	919.22	Calculated Property
Cp,gas	704.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011606; 0.0000945]	Pa×s	[427.25; 682.62]	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			-1.34642e+01
Coefficient B			2.86490e+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.			427.25
Temperature range, max.			682.62
η	0.0011606	Pa×s	427.25	Calculated Property
η	0.0007644	Pa×s	455.62	Calculated Property
η	0.0005287	Pa×s	484.00	Calculated Property
η	0.0003810	Pa×s	512.37	Calculated Property
η	0.0002841	Pa×s	540.75	Calculated Property
η	0.0002181	Pa×s	569.12	Calculated Property
η	0.0001718	Pa×s	597.50	Calculated Property
η	0.0001382	Pa×s	625.87	Calculated Property
η	0.0001133	Pa×s	654.25	Calculated Property
η	0.0000945	Pa×s	682.62	Calculated Property

Similar Compounds

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