Chemical Properties of Diethylmalonic acid, 2,4-dichloronaphth-1-yl 2-methylhex-3-yl ester

InChI

InChI=1S/C24H30Cl2O4/c1-6-11-20(15(4)5)29-22(27)24(7-2,8-3)23(28)30-21-17-13-10-9-12-16(17)18(25)14-19(21)26/h9-10,12-15,20H,6-8,11H2,1-5H3

InChI Key

ICMQCEBOUMLQAL-UHFFFAOYSA-N

Formula

C24H30Cl2O4

SMILES

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

Molecular Weight¹

453.40

• 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°	50.48	kJ/mol	Joback Calculated Property
logPoct/wat	7.226		Crippen Calculated Property
McVol	345.160	ml/mol	McGowan Calculated Property
Inp	[2914.00; 2914.00]
Inp	2914.00		NIST
Inp	2914.00		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	[481.40; 1074.38]	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			7.38400e+00
Coefficient B			2.06440e+00
Coefficient C			-1.27840e-03
Coefficient D			2.81000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	481.40	J/mol×K	273.00	Calculated Property
Cp,gas	590.16	J/mol×K	353.78	Calculated Property
Cp,gas	686.13	J/mol×K	434.56	Calculated Property
Cp,gas	770.19	J/mol×K	515.33	Calculated Property
Cp,gas	843.24	J/mol×K	596.11	Calculated Property
Cp,gas	906.17	J/mol×K	676.89	Calculated Property
Cp,gas	959.85	J/mol×K	757.67	Calculated Property
Cp,gas	1005.19	J/mol×K	838.44	Calculated Property
Cp,gas	1043.07	J/mol×K	919.22	Calculated Property
Cp,gas	1074.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003197; 0.0000401]	Pa×s	[573.84; 858.75]	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			-1.43052e+01
Coefficient B			3.59062e+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.			573.84
Temperature range, max.			858.75
η	0.0003197	Pa×s	573.84	Calculated Property
η	0.0002305	Pa×s	605.50	Calculated Property
η	0.0001717	Pa×s	637.15	Calculated Property
η	0.0001315	Pa×s	668.81	Calculated Property
η	0.0001032	Pa×s	700.47	Calculated Property
η	0.0000827	Pa×s	732.13	Calculated Property
η	0.0000675	Pa×s	763.78	Calculated Property
η	0.0000559	Pa×s	795.44	Calculated Property
η	0.0000471	Pa×s	827.10	Calculated Property
η	0.0000401	Pa×s	858.75	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloronaphth-1-yl 2-methylhex-3-yl 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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