Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2,4-dichloro-1-naphthyl ester

InChI

InChI=1S/C17H14Cl4O4/c18-12-8-13(19)17(11-5-2-1-4-10(11)12)25-16(23)7-3-6-15(22)24-9-14(20)21/h1-2,4-5,8,14H,3,6-7,9H2

InChI Key

WBUVTGHGDXFREF-UHFFFAOYSA-N

Formula

C17H14Cl4O4

SMILES

O=C(CCCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12)OCC(Cl)Cl

Molecular Weight¹

424.10

• 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).
• 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°	51.68	kJ/mol	Joback Calculated Property
logPoct/wat	5.569		Crippen Calculated Property
McVol	271.010	ml/mol	McGowan Calculated Property
Inp	[3060.00; 3060.00]
Inp	3060.00		NIST
Inp	3060.00		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	[361.49; 727.78]	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			6.56840e+01
Coefficient B			1.28120e+00
Coefficient C			-7.63400e-04
Coefficient D			1.44300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.49	J/mol×K	273.00	Calculated Property
Cp,gas	429.79	J/mol×K	353.78	Calculated Property
Cp,gas	490.12	J/mol×K	434.56	Calculated Property
Cp,gas	542.94	J/mol×K	515.33	Calculated Property
Cp,gas	588.72	J/mol×K	596.11	Calculated Property
Cp,gas	627.89	J/mol×K	676.89	Calculated Property
Cp,gas	660.93	J/mol×K	757.67	Calculated Property
Cp,gas	688.29	J/mol×K	838.44	Calculated Property
Cp,gas	710.42	J/mol×K	919.22	Calculated Property
Cp,gas	727.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004911; 0.0001042]	Pa×s	[567.37; 803.27]	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			-1.28990e+01
Coefficient B			2.99578e+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.			567.37
Temperature range, max.			803.27
η	0.0004911	Pa×s	567.37	Calculated Property
η	0.0003890	Pa×s	593.58	Calculated Property
η	0.0003142	Pa×s	619.79	Calculated Property
η	0.0002582	Pa×s	646.00	Calculated Property
η	0.0002155	Pa×s	672.21	Calculated Property
η	0.0001823	Pa×s	698.42	Calculated Property
η	0.0001561	Pa×s	724.64	Calculated Property
η	0.0001351	Pa×s	750.85	Calculated Property
η	0.0001181	Pa×s	777.06	Calculated Property
η	0.0001042	Pa×s	803.27	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2,4-dichloro-1-naphthyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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