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

InChI

InChI=1S/C22H30Cl2O5/c1-4-7-8-9-10-11-12-28-20(26)22(5-2,6-3)21(27)29-19-16(15-25)13-17(23)14-18(19)24/h13-15H,4-12H2,1-3H3

InChI Key

GZSAGXZNKRDPRQ-UHFFFAOYSA-N

Formula

C22H30Cl2O5

SMILES

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

Molecular Weight¹

445.38

• 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°	57.62	kJ/mol	Joback Calculated Property
logPoct/wat	6.421		Crippen Calculated Property
McVol	338.010	ml/mol	McGowan Calculated Property
Inp	[2779.00; 2779.00]
Inp	2779.00		NIST
Inp	2779.00		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	[485.52; 1051.69]	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			5.54090e+01
Coefficient B			1.84076e+00
Coefficient C			-1.01948e-03
Coefficient D			1.75000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	485.52	J/mol×K	273.00	Calculated Property
Cp,gas	586.78	J/mol×K	353.78	Calculated Property
Cp,gas	677.17	J/mol×K	434.56	Calculated Property
Cp,gas	757.22	J/mol×K	515.33	Calculated Property
Cp,gas	827.51	J/mol×K	596.11	Calculated Property
Cp,gas	888.57	J/mol×K	676.89	Calculated Property
Cp,gas	940.97	J/mol×K	757.67	Calculated Property
Cp,gas	985.25	J/mol×K	838.44	Calculated Property
Cp,gas	1021.97	J/mol×K	919.22	Calculated Property
Cp,gas	1051.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002459; 0.0000357]	Pa×s	[590.60; 842.22]	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			-1.47731e+01
Coefficient B			3.81685e+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.			590.60
Temperature range, max.			842.22
η	0.0002459	Pa×s	590.60	Calculated Property
η	0.0001836	Pa×s	618.56	Calculated Property
η	0.0001406	Pa×s	646.52	Calculated Property
η	0.0001101	Pa×s	674.47	Calculated Property
η	0.0000879	Pa×s	702.43	Calculated Property
η	0.0000714	Pa×s	730.39	Calculated Property
η	0.0000589	Pa×s	758.35	Calculated Property
η	0.0000492	Pa×s	786.30	Calculated Property
η	0.0000417	Pa×s	814.26	Calculated Property
η	0.0000357	Pa×s	842.22	Calculated Property

Similar Compounds

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