Chemical Properties of Diethylmalonic acid, 2,6-dichlorophenyl heptadecyl ester

InChI

InChI=1S/C30H48Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-28(33)30(5-2,6-3)29(34)36-27-25(31)22-21-23-26(27)32/h21-23H,4-20,24H2,1-3H3

InChI Key

HHVHCEWKCKXVMH-UHFFFAOYSA-N

Formula

C30H48Cl2O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

543.61

• 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).
• 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).
• 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 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	[647.76; 1476.68]	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			2.24380e+01
Coefficient B			2.68576e+00
Coefficient C			-1.52872e-03
Coefficient D			2.97200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	647.76	J/mol×K	273.00	Calculated Property
Cp,gas	794.43	J/mol×K	353.78	Calculated Property
Cp,gas	925.26	J/mol×K	434.56	Calculated Property
Cp,gas	1041.19	J/mol×K	515.33	Calculated Property
Cp,gas	1143.18	J/mol×K	596.11	Calculated Property
Cp,gas	1232.14	J/mol×K	676.89	Calculated Property
Cp,gas	1309.04	J/mol×K	757.67	Calculated Property
Cp,gas	1374.80	J/mol×K	838.44	Calculated Property
Cp,gas	1430.37	J/mol×K	919.22	Calculated Property
Cp,gas	1476.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001017; 0.0000086]	Pa×s	[626.24; 961.71]	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			-1.62658e+01
Coefficient B			4.42876e+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.			626.24
Temperature range, max.			961.71
η	0.0001017	Pa×s	626.24	Calculated Property
η	0.0000683	Pa×s	663.51	Calculated Property
η	0.0000479	Pa×s	700.79	Calculated Property
η	0.0000348	Pa×s	738.06	Calculated Property
η	0.0000261	Pa×s	775.34	Calculated Property
η	0.0000201	Pa×s	812.61	Calculated Property
η	0.0000158	Pa×s	849.89	Calculated Property
η	0.0000127	Pa×s	887.16	Calculated Property
η	0.0000104	Pa×s	924.44	Calculated Property
η	0.0000086	Pa×s	961.71	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,6-dichlorophenyl heptadecyl ester.

Sources

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

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