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

InChI

InChI=1S/C21H24Cl2O4/c1-4-7-12-26-19(24)21(5-2,6-3)20(25)27-18-15-11-9-8-10-14(15)16(22)13-17(18)23/h8-11,13H,4-7,12H2,1-3H3

InChI Key

AZEKHDDESQOOCD-UHFFFAOYSA-N

Formula

C21H24Cl2O4

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

411.32

• 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°	49.76	kJ/mol	Joback Calculated Property
logPoct/wat	6.202		Crippen Calculated Property
McVol	302.890	ml/mol	McGowan Calculated Property
Inp	[2786.00; 2786.00]
Inp	2786.00		NIST
Inp	2786.00		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	[418.39; 918.53]	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			1.34750e+01
Coefficient B			1.76756e+00
Coefficient C			-1.10880e-03
Coefficient D			2.46300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.39	J/mol×K	273.00	Calculated Property
Cp,gas	510.93	J/mol×K	353.78	Calculated Property
Cp,gas	592.41	J/mol×K	434.56	Calculated Property
Cp,gas	663.60	J/mol×K	515.33	Calculated Property
Cp,gas	725.30	J/mol×K	596.11	Calculated Property
Cp,gas	778.27	J/mol×K	676.89	Calculated Property
Cp,gas	823.31	J/mol×K	757.67	Calculated Property
Cp,gas	861.18	J/mol×K	838.44	Calculated Property
Cp,gas	892.66	J/mol×K	919.22	Calculated Property
Cp,gas	918.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003832; 0.0000722]	Pa×s	[570.03; 807.75]	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			-1.35376e+01
Coefficient B			3.23250e+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.			570.03
Temperature range, max.			807.75
η	0.0003832	Pa×s	570.03	Calculated Property
η	0.0002981	Pa×s	596.44	Calculated Property
η	0.0002369	Pa×s	622.86	Calculated Property
η	0.0001918	Pa×s	649.27	Calculated Property
η	0.0001579	Pa×s	675.68	Calculated Property
η	0.0001319	Pa×s	702.10	Calculated Property
η	0.0001116	Pa×s	728.51	Calculated Property
η	0.0000956	Pa×s	754.92	Calculated Property
η	0.0000827	Pa×s	781.34	Calculated Property
η	0.0000722	Pa×s	807.75	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2,4-dichloronaphth-1-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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