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

InChI

InChI=1S/C21H24Cl2O4/c1-5-21(6-2,19(24)26-12-13(3)4)20(25)27-18-15-10-8-7-9-14(15)16(22)11-17(18)23/h7-11,13H,5-6,12H2,1-4H3

InChI Key

GVOCHXTVEHZLCI-UHFFFAOYSA-N

Formula

C21H24Cl2O4

SMILES

CCC(CC)(C(=O)OCC(C)C)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°	46.23	kJ/mol	Joback Calculated Property
logPoct/wat	6.058		Crippen Calculated Property
McVol	302.890	ml/mol	McGowan Calculated Property
Inp	[2744.00; 2744.00]
Inp	2744.00		NIST
Inp	2744.00		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	[418.08; 919.07]	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			1.17930e+01
Coefficient B			1.77348e+00
Coefficient C			-1.11200e-03
Coefficient D			2.45800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.08	J/mol×K	273.00	Calculated Property
Cp,gas	510.92	J/mol×K	353.78	Calculated Property
Cp,gas	592.65	J/mol×K	434.56	Calculated Property
Cp,gas	664.05	J/mol×K	515.33	Calculated Property
Cp,gas	725.90	J/mol×K	596.11	Calculated Property
Cp,gas	778.98	J/mol×K	676.89	Calculated Property
Cp,gas	824.06	J/mol×K	757.67	Calculated Property
Cp,gas	861.91	J/mol×K	838.44	Calculated Property
Cp,gas	893.33	J/mol×K	919.22	Calculated Property
Cp,gas	919.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004182; 0.0000658]	Pa×s	[555.03; 809.02]	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			-1.36716e+01
Coefficient B			3.27032e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			555.03
Temperature range, max.			809.02
η	0.0004182	Pa×s	555.03	Calculated Property
η	0.0003145	Pa×s	583.25	Calculated Property
η	0.0002428	Pa×s	611.47	Calculated Property
η	0.0001918	Pa×s	639.69	Calculated Property
η	0.0001545	Pa×s	667.92	Calculated Property
η	0.0001267	Pa×s	696.14	Calculated Property
η	0.0001055	Pa×s	724.36	Calculated Property
η	0.0000891	Pa×s	752.58	Calculated Property
η	0.0000761	Pa×s	780.80	Calculated Property
η	0.0000658	Pa×s	809.02	Calculated Property

Similar Compounds

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