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

InChI

InChI=1S/C14H13Cl3O4/c1-3-14(4-2,12(17)19)13(20)21-11-8(7-18)5-9(15)6-10(11)16/h5-7H,3-4H2,1-2H3

InChI Key

NJWAUZQHFDLNDW-UHFFFAOYSA-N

Formula

C14H13Cl3O4

SMILES

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

Molecular Weight¹

351.61

• 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°	38.32	kJ/mol	Joback Calculated Property
logPoct/wat	4.283		Crippen Calculated Property
McVol	231.660	ml/mol	McGowan Calculated Property
Inp	[2198.00; 2198.00]
Inp	2198.00		NIST
Inp	2198.00		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	[313.80; 628.14]	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			5.75220e+01
Coefficient B			1.11434e+00
Coefficient C			-6.80580e-04
Coefficient D			1.36860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.80	J/mol×K	273.00	Calculated Property
Cp,gas	372.63	J/mol×K	353.78	Calculated Property
Cp,gas	424.48	J/mol×K	434.56	Calculated Property
Cp,gas	469.77	J/mol×K	515.33	Calculated Property
Cp,gas	508.94	J/mol×K	596.11	Calculated Property
Cp,gas	542.42	J/mol×K	676.89	Calculated Property
Cp,gas	570.65	J/mol×K	757.67	Calculated Property
Cp,gas	594.06	J/mol×K	838.44	Calculated Property
Cp,gas	613.08	J/mol×K	919.22	Calculated Property
Cp,gas	628.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006432; 0.0001324]	Pa×s	[537.96; 742.13]	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			-1.30955e+01
Coefficient B			3.09136e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			537.96
Temperature range, max.			742.13
η	0.0006432	Pa×s	537.96	Calculated Property
η	0.0005098	Pa×s	560.65	Calculated Property
η	0.0004114	Pa×s	583.33	Calculated Property
η	0.0003374	Pa×s	606.02	Calculated Property
η	0.0002806	Pa×s	628.70	Calculated Property
η	0.0002365	Pa×s	651.39	Calculated Property
η	0.0002016	Pa×s	674.07	Calculated Property
η	0.0001736	Pa×s	696.76	Calculated Property
η	0.0001509	Pa×s	719.45	Calculated Property
η	0.0001324	Pa×s	742.13	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 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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