Chemical Properties of Diethylmalonic acid, butyl 2,4-dichloro-6-formylphenyl ester

InChI

InChI=1S/C18H22Cl2O5/c1-4-7-8-24-16(22)18(5-2,6-3)17(23)25-15-12(11-21)9-13(19)10-14(15)20/h9-11H,4-8H2,1-3H3

InChI Key

GQCDWRQKCLWLJV-UHFFFAOYSA-N

Formula

C18H22Cl2O5

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

389.27

• 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°	47.26	kJ/mol	Joback Calculated Property
logPoct/wat	4.861		Crippen Calculated Property
McVol	281.650	ml/mol	McGowan Calculated Property
Inp	[2398.00; 2398.00]
Inp	2398.00		NIST
Inp	2398.00		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	[400.66; 845.32]	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			5.90450e+01
Coefficient B			1.46076e+00
Coefficient C			-8.01880e-04
Coefficient D			1.27400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.66	J/mol×K	273.00	Calculated Property
Cp,gas	481.11	J/mol×K	353.78	Calculated Property
Cp,gas	552.86	J/mol×K	434.56	Calculated Property
Cp,gas	616.30	J/mol×K	515.33	Calculated Property
Cp,gas	671.86	J/mol×K	596.11	Calculated Property
Cp,gas	719.92	J/mol×K	676.89	Calculated Property
Cp,gas	760.90	J/mol×K	757.67	Calculated Property
Cp,gas	795.19	J/mol×K	838.44	Calculated Property
Cp,gas	823.20	J/mol×K	919.22	Calculated Property
Cp,gas	845.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004075; 0.0000633]	Pa×s	[545.52; 774.08]	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			-1.41117e+01
Coefficient B			3.44021e+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.			545.52
Temperature range, max.			774.08
η	0.0004075	Pa×s	545.52	Calculated Property
η	0.0003078	Pa×s	570.92	Calculated Property
η	0.0002382	Pa×s	596.31	Calculated Property
η	0.0001882	Pa×s	621.71	Calculated Property
η	0.0001514	Pa×s	647.10	Calculated Property
η	0.0001239	Pa×s	672.50	Calculated Property
η	0.0001028	Pa×s	697.89	Calculated Property
η	0.0000865	Pa×s	723.29	Calculated Property
η	0.0000736	Pa×s	748.68	Calculated Property
η	0.0000633	Pa×s	774.08	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2,4-dichloro-6-formylphenyl 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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