Chemical Properties of Dimethylmalonic acid, 2,3-dichlorophenyl hexyl ester

InChI

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

InChI Key

CAEKXFNNLFPQMO-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

CCCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

361.26

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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 Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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
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 Dimethylmalonic acid, 2,3-dichlorophenyl hexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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