Chemical Properties of Diethylmalonic acid, 2,2-dichloroethyl hexyl ester

InChI

InChI=1S/C15H26Cl2O4/c1-4-7-8-9-10-20-13(18)15(5-2,6-3)14(19)21-11-12(16)17/h12H,4-11H2,1-3H3

InChI Key

DTOYZLQISNGCMX-UHFFFAOYSA-N

Formula

C15H26Cl2O4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)OCC(Cl)Cl

Molecular Weight¹

341.27

• 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).
• 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_c : Critical 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 Volume, 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	[381.40; 827.96]	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			3.96980e+01
Coefficient B			1.46456e+00
Coefficient C			-8.18800e-04
Coefficient D			1.42500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	381.40	J/mol×K	273.00	Calculated Property
Cp,gas	461.66	J/mol×K	353.78	Calculated Property
Cp,gas	533.20	J/mol×K	434.56	Calculated Property
Cp,gas	596.49	J/mol×K	515.33	Calculated Property
Cp,gas	651.96	J/mol×K	596.11	Calculated Property
Cp,gas	700.08	J/mol×K	676.89	Calculated Property
Cp,gas	741.29	J/mol×K	757.67	Calculated Property
Cp,gas	776.03	J/mol×K	838.44	Calculated Property
Cp,gas	804.77	J/mol×K	919.22	Calculated Property
Cp,gas	827.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020481; 0.0000887]	Pa×s	[390.73; 643.39]	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			-1.41843e+01
Coefficient B			3.12328e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			390.73
Temperature range, max.			643.39
η	0.0020481	Pa×s	390.73	Calculated Property
η	0.0011985	Pa×s	418.80	Calculated Property
η	0.0007502	Pa×s	446.88	Calculated Property
η	0.0004963	Pa×s	474.95	Calculated Property
η	0.0003438	Pa×s	503.02	Calculated Property
η	0.0002476	Pa×s	531.10	Calculated Property
η	0.0001843	Pa×s	559.17	Calculated Property
η	0.0001411	Pa×s	587.25	Calculated Property
η	0.0001107	Pa×s	615.32	Calculated Property
η	0.0000887	Pa×s	643.39	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2-dichloroethyl hexyl ester.

Sources

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

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