Chemical Properties of Diethylmalonic acid, butyl 2,4-dichlorophenyl ester

InChI

InChI=1S/C17H22Cl2O4/c1-4-7-10-22-15(20)17(5-2,6-3)16(21)23-14-9-8-12(18)11-13(14)19/h8-9,11H,4-7,10H2,1-3H3

InChI Key

DZWPZCMZLKNNCV-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

361.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[371.98; 806.00]	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			3.42550e+01
Coefficient B			1.45076e+00
Coefficient C			-8.21520e-04
Coefficient D			1.42500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.98	J/mol×K	273.00	Calculated Property
Cp,gas	450.99	J/mol×K	353.78	Calculated Property
Cp,gas	521.25	J/mol×K	434.56	Calculated Property
Cp,gas	583.21	J/mol×K	515.33	Calculated Property
Cp,gas	637.33	J/mol×K	596.11	Calculated Property
Cp,gas	684.05	J/mol×K	676.89	Calculated Property
Cp,gas	723.83	J/mol×K	757.67	Calculated Property
Cp,gas	757.11	J/mol×K	838.44	Calculated Property
Cp,gas	784.35	J/mol×K	919.22	Calculated Property
Cp,gas	806.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006069; 0.0000662]	Pa×s	[479.73; 717.89]	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			-1.40874e+01
Coefficient B			3.20468e+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.			479.73
Temperature range, max.			717.89
η	0.0006069	Pa×s	479.73	Calculated Property
η	0.0004280	Pa×s	506.19	Calculated Property
η	0.0003125	Pa×s	532.66	Calculated Property
η	0.0002350	Pa×s	559.12	Calculated Property
η	0.0001814	Pa×s	585.58	Calculated Property
η	0.0001432	Pa×s	612.04	Calculated Property
η	0.0001153	Pa×s	638.51	Calculated Property
η	0.0000944	Pa×s	664.97	Calculated Property
η	0.0000785	Pa×s	691.43	Calculated Property
η	0.0000662	Pa×s	717.89	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2,4-dichlorophenyl 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.