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

InChI

InChI=1S/C16H20Cl2O4/c1-2-6-12-7-3-4-8-13(12)22-16(20)10-5-9-15(19)21-11-14(17)18/h3-4,7-8,14H,2,5-6,9-11H2,1H3

InChI Key

DNSQSGJZIYIXCO-UHFFFAOYSA-N

Formula

C16H20Cl2O4

SMILES

CCCc1ccccc1OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

347.23

• 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°	44.46	kJ/mol	Joback Calculated Property
logPoct/wat	4.062		Crippen Calculated Property
McVol	251.900	ml/mol	McGowan Calculated Property
Inp	[2325.00; 2325.00]
Inp	2325.00		NIST
Inp	2325.00		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	[349.37; 756.52]	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			4.36560e+01
Coefficient B			1.29532e+00
Coefficient C			-6.65560e-04
Coefficient D			8.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.37	J/mol×K	273.00	Calculated Property
Cp,gas	422.29	J/mol×K	353.78	Calculated Property
Cp,gas	487.68	J/mol×K	434.56	Calculated Property
Cp,gas	545.80	J/mol×K	515.33	Calculated Property
Cp,gas	596.91	J/mol×K	596.11	Calculated Property
Cp,gas	641.27	J/mol×K	676.89	Calculated Property
Cp,gas	679.15	J/mol×K	757.67	Calculated Property
Cp,gas	710.81	J/mol×K	838.44	Calculated Property
Cp,gas	736.51	J/mol×K	919.22	Calculated Property
Cp,gas	756.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010342; 0.0000845]	Pa×s	[438.52; 697.34]	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			-1.36220e+01
Coefficient B			2.95906e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			438.52
Temperature range, max.			697.34
η	0.0010342	Pa×s	438.52	Calculated Property
η	0.0006827	Pa×s	467.28	Calculated Property
η	0.0004729	Pa×s	496.04	Calculated Property
η	0.0003411	Pa×s	524.79	Calculated Property
η	0.0002545	Pa×s	553.55	Calculated Property
η	0.0001954	Pa×s	582.31	Calculated Property
η	0.0001538	Pa×s	611.07	Calculated Property
η	0.0001238	Pa×s	639.82	Calculated Property
η	0.0001014	Pa×s	668.58	Calculated Property
η	0.0000845	Pa×s	697.34	Calculated Property

Similar Compounds

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