Chemical Properties of Glutaric acid, 3-methylbut-2-yl 2,4-dichloro-1-naphthyl ester

InChI

InChI=1S/C20H22Cl2O4/c1-12(2)13(3)25-18(23)9-6-10-19(24)26-20-15-8-5-4-7-14(15)16(21)11-17(20)22/h4-5,7-8,11-13H,6,9-10H2,1-3H3

InChI Key

HBRAOYDFYWGWDR-UHFFFAOYSA-N

Formula

C20H22Cl2O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

397.29

• 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°	47.53	kJ/mol	Joback Calculated Property
logPoct/wat	5.810		Crippen Calculated Property
McVol	288.800	ml/mol	McGowan Calculated Property
Inp	[2859.00; 2859.00]
Inp	2859.00		NIST
Inp	2859.00		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	[398.01; 866.55]	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			3.54930e+01
Coefficient B			1.55856e+00
Coefficient C			-8.89000e-04
Coefficient D			1.61500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	398.01	J/mol×K	273.00	Calculated Property
Cp,gas	482.76	J/mol×K	353.78	Calculated Property
Cp,gas	558.15	J/mol×K	434.56	Calculated Property
Cp,gas	624.68	J/mol×K	515.33	Calculated Property
Cp,gas	682.87	J/mol×K	596.11	Calculated Property
Cp,gas	733.23	J/mol×K	676.89	Calculated Property
Cp,gas	776.27	J/mol×K	757.67	Calculated Property
Cp,gas	812.49	J/mol×K	838.44	Calculated Property
Cp,gas	842.42	J/mol×K	919.22	Calculated Property
Cp,gas	866.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005768; 0.0000865]	Pa×s	[526.34; 792.55]	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			-1.31073e+01
Coefficient B			2.97344e+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.			526.34
Temperature range, max.			792.55
η	0.0005768	Pa×s	526.34	Calculated Property
η	0.0004270	Pa×s	555.92	Calculated Property
η	0.0003259	Pa×s	585.50	Calculated Property
η	0.0002553	Pa×s	615.08	Calculated Property
η	0.0002045	Pa×s	644.65	Calculated Property
η	0.0001671	Pa×s	674.23	Calculated Property
η	0.0001388	Pa×s	703.81	Calculated Property
η	0.0001170	Pa×s	733.39	Calculated Property
η	0.0001000	Pa×s	762.97	Calculated Property
η	0.0000865	Pa×s	792.55	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 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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