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

InChI

InChI=1S/C21H28Cl2O5/c1-4-7-8-9-10-11-27-19(25)21(5-2,6-3)20(26)28-18-15(14-24)12-16(22)13-17(18)23/h12-14H,4-11H2,1-3H3

InChI Key

HCHSNWRZMJCMDW-UHFFFAOYSA-N

Formula

C21H28Cl2O5

SMILES

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

Molecular Weight¹

431.36

• 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°	55.03	kJ/mol	Joback Calculated Property
logPoct/wat	6.031		Crippen Calculated Property
McVol	323.920	ml/mol	McGowan Calculated Property
Inp	[2684.00; 2684.00]
Inp	2684.00		NIST
Inp	2684.00		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	[464.30; 1000.10]	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			5.63180e+01
Coefficient B			1.74576e+00
Coefficient C			-9.65080e-04
Coefficient D			1.63100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	464.30	J/mol×K	273.00	Calculated Property
Cp,gas	560.36	J/mol×K	353.78	Calculated Property
Cp,gas	646.09	J/mol×K	434.56	Calculated Property
Cp,gas	721.99	J/mol×K	515.33	Calculated Property
Cp,gas	788.59	J/mol×K	596.11	Calculated Property
Cp,gas	846.41	J/mol×K	676.89	Calculated Property
Cp,gas	895.95	J/mol×K	757.67	Calculated Property
Cp,gas	937.73	J/mol×K	838.44	Calculated Property
Cp,gas	972.28	J/mol×K	919.22	Calculated Property
Cp,gas	1000.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002801; 0.0000415]	Pa×s	[579.33; 824.27]	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			-1.46061e+01
Coefficient B			3.72269e+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.			579.33
Temperature range, max.			824.27
η	0.0002801	Pa×s	579.33	Calculated Property
η	0.0002100	Pa×s	606.55	Calculated Property
η	0.0001613	Pa×s	633.76	Calculated Property
η	0.0001267	Pa×s	660.98	Calculated Property
η	0.0001014	Pa×s	688.19	Calculated Property
η	0.0000825	Pa×s	715.41	Calculated Property
η	0.0000682	Pa×s	742.62	Calculated Property
η	0.0000571	Pa×s	769.84	Calculated Property
η	0.0000484	Pa×s	797.05	Calculated Property
η	0.0000415	Pa×s	824.27	Calculated Property

Similar Compounds

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