Chemical Properties of Dimethylmalonic acid, 2,5-dichlorophenyl isobutyl ester

InChI

InChI=1S/C15H18Cl2O4/c1-9(2)8-20-13(18)15(3,4)14(19)21-12-7-10(16)5-6-11(12)17/h5-7,9H,8H2,1-4H3

InChI Key

HYEIIYZVLIUAIK-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

CC(C)COC(=O)C(C)(C)C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

333.21

• 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).
• 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, 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	[329.24; 703.35]	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			3.43910e+01
Coefficient B			1.26668e+00
Coefficient C			-7.15920e-04
Coefficient D			1.18200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.24	J/mol×K	273.00	Calculated Property
Cp,gas	398.14	J/mol×K	353.78	Calculated Property
Cp,gas	459.34	J/mol×K	434.56	Calculated Property
Cp,gas	513.20	J/mol×K	515.33	Calculated Property
Cp,gas	560.11	J/mol×K	596.11	Calculated Property
Cp,gas	600.43	J/mol×K	676.89	Calculated Property
Cp,gas	634.54	J/mol×K	757.67	Calculated Property
Cp,gas	662.82	J/mol×K	838.44	Calculated Property
Cp,gas	685.63	J/mol×K	919.22	Calculated Property
Cp,gas	703.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009144; 0.0000760]	Pa×s	[442.19; 691.01]	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			-1.39042e+01
Coefficient B			3.05418e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			442.19
Temperature range, max.			691.01
η	0.0009144	Pa×s	442.19	Calculated Property
η	0.0006090	Pa×s	469.84	Calculated Property
η	0.0004243	Pa×s	497.48	Calculated Property
η	0.0003071	Pa×s	525.13	Calculated Property
η	0.0002296	Pa×s	552.78	Calculated Property
η	0.0001765	Pa×s	580.43	Calculated Property
η	0.0001389	Pa×s	608.07	Calculated Property
η	0.0001117	Pa×s	635.72	Calculated Property
η	0.0000914	Pa×s	663.37	Calculated Property
η	0.0000760	Pa×s	691.01	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,5-dichlorophenyl 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

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