Chemical Properties of Diethylmalonic acid, 2-chloro-5-methylphenyl isobutyl ester

InChI

InChI=1S/C18H25ClO4/c1-6-18(7-2,16(20)22-11-12(3)4)17(21)23-15-10-13(5)8-9-14(15)19/h8-10,12H,6-7,11H2,1-5H3

InChI Key

CTSBKPQZYMUNKH-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

340.84

• 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

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	[379.48; 849.85]	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			1.87730e+01
Coefficient B			1.54490e+00
Coefficient C			-8.58720e-04
Coefficient D			1.44900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.48	J/mol×K	273.00	Calculated Property
Cp,gas	464.26	J/mol×K	353.78	Calculated Property
Cp,gas	539.85	J/mol×K	434.56	Calculated Property
Cp,gas	606.69	J/mol×K	515.33	Calculated Property
Cp,gas	665.25	J/mol×K	596.11	Calculated Property
Cp,gas	715.99	J/mol×K	676.89	Calculated Property
Cp,gas	759.36	J/mol×K	757.67	Calculated Property
Cp,gas	795.82	J/mol×K	838.44	Calculated Property
Cp,gas	825.83	J/mol×K	919.22	Calculated Property
Cp,gas	849.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008345; 0.0000613]	Pa×s	[446.08; 705.69]	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			-1.41846e+01
Coefficient B			3.16534e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			446.08
Temperature range, max.			705.69
η	0.0008345	Pa×s	446.08	Calculated Property
η	0.0005423	Pa×s	474.93	Calculated Property
η	0.0003703	Pa×s	503.77	Calculated Property
η	0.0002635	Pa×s	532.62	Calculated Property
η	0.0001941	Pa×s	561.46	Calculated Property
η	0.0001474	Pa×s	590.31	Calculated Property
η	0.0001148	Pa×s	619.15	Calculated Property
η	0.0000914	Pa×s	648.00	Calculated Property
η	0.0000743	Pa×s	676.85	Calculated Property
η	0.0000613	Pa×s	705.69	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl isobutyl 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.