Chemical Properties of Diethylmalonic acid, 2,4-dichloro-6-formylphenyl tetradecyl ester

InChI

InChI=1S/C28H42Cl2O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-34-26(32)28(5-2,6-3)27(33)35-25-22(21-31)19-23(29)20-24(25)30/h19-21H,4-18H2,1-3H3

InChI Key

MSDZNBJNZVFNSJ-UHFFFAOYSA-N

Formula

C28H42Cl2O5

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

529.55

• 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	[612.80; 1361.23]	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			4.99550e+01
Coefficient B			2.41076e+00
Coefficient C			-1.34588e-03
Coefficient D			2.46400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	612.80	J/mol×K	273.00	Calculated Property
Cp,gas	745.29	J/mol×K	353.78	Calculated Property
Cp,gas	863.63	J/mol×K	434.56	Calculated Property
Cp,gas	968.60	J/mol×K	515.33	Calculated Property
Cp,gas	1060.97	J/mol×K	596.11	Calculated Property
Cp,gas	1141.54	J/mol×K	676.89	Calculated Property
Cp,gas	1211.06	J/mol×K	757.67	Calculated Property
Cp,gas	1270.34	J/mol×K	838.44	Calculated Property
Cp,gas	1320.13	J/mol×K	919.22	Calculated Property
Cp,gas	1361.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001076; 0.0000129]	Pa×s	[658.22; 965.95]	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			-1.57940e+01
Coefficient B			4.38181e+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.			658.22
Temperature range, max.			965.95
η	0.0001076	Pa×s	658.22	Calculated Property
η	0.0000775	Pa×s	692.41	Calculated Property
η	0.0000575	Pa×s	726.60	Calculated Property
η	0.0000439	Pa×s	760.80	Calculated Property
η	0.0000342	Pa×s	794.99	Calculated Property
η	0.0000273	Pa×s	829.18	Calculated Property
η	0.0000221	Pa×s	863.37	Calculated Property
η	0.0000182	Pa×s	897.57	Calculated Property
η	0.0000152	Pa×s	931.76	Calculated Property
η	0.0000129	Pa×s	965.95	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloro-6-formylphenyl tetradecyl 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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