Chemical Properties of Diethylmalonic acid, monochloride, 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C15H19ClO5/c1-5-15(6-2,13(16)17)14(18)21-12-10(19-3)8-7-9-11(12)20-4/h7-9H,5-6H2,1-4H3

InChI Key

SPKLDHKFKUDGKF-UHFFFAOYSA-N

Formula

C15H19ClO5

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

314.76

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[331.55; 712.45]	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			5.61320e+01
Coefficient B			1.15438e+00
Coefficient C			-5.46220e-04
Coefficient D			4.81600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.55	J/mol×K	273.00	Calculated Property
Cp,gas	398.29	J/mol×K	353.78	Calculated Property
Cp,gas	458.58	J/mol×K	434.56	Calculated Property
Cp,gas	512.55	J/mol×K	515.33	Calculated Property
Cp,gas	560.37	J/mol×K	596.11	Calculated Property
Cp,gas	602.19	J/mol×K	676.89	Calculated Property
Cp,gas	638.15	J/mol×K	757.67	Calculated Property
Cp,gas	668.42	J/mol×K	838.44	Calculated Property
Cp,gas	693.13	J/mol×K	919.22	Calculated Property
Cp,gas	712.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005294; 0.0000816]	Pa×s	[479.33; 688.90]	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			-1.36892e+01
Coefficient B			2.94569e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			479.33
Temperature range, max.			688.90
η	0.0005294	Pa×s	479.33	Calculated Property
η	0.0003982	Pa×s	502.62	Calculated Property
η	0.0003072	Pa×s	525.90	Calculated Property
η	0.0002423	Pa×s	549.19	Calculated Property
η	0.0001948	Pa×s	572.47	Calculated Property
η	0.0001593	Pa×s	595.76	Calculated Property
η	0.0001323	Pa×s	619.04	Calculated Property
η	0.0001113	Pa×s	642.33	Calculated Property
η	0.0000948	Pa×s	665.61	Calculated Property
η	0.0000816	Pa×s	688.90	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2,6-dimethoxyphenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.