Chemical Properties of Diethylmalonic acid, heptyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C20H27Cl3O4/c1-4-7-8-9-10-11-26-18(24)20(5-2,6-3)19(25)27-16-13-14(21)12-15(22)17(16)23/h12-13H,4-11H2,1-3H3

InChI Key

CDFCHBQBNSJASH-UHFFFAOYSA-N

Formula

C20H27Cl3O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

437.79

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.34	kJ/mol	Joback Calculated Property
logPoct/wat	6.872		Crippen Calculated Property
McVol	320.500	ml/mol	McGowan Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	645.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[451.58; 966.00]	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			5.87180e+01
Coefficient B			1.68306e+00
Coefficient C			-9.38080e-04
Coefficient D			1.62300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	451.58	J/mol×K	273.00	Calculated Property
Cp,gas	543.92	J/mol×K	353.78	Calculated Property
Cp,gas	626.27	J/mol×K	434.56	Calculated Property
Cp,gas	699.14	J/mol×K	515.33	Calculated Property
Cp,gas	763.04	J/mol×K	596.11	Calculated Property
Cp,gas	818.49	J/mol×K	676.89	Calculated Property
Cp,gas	866.00	J/mol×K	757.67	Calculated Property
Cp,gas	906.07	J/mol×K	838.44	Calculated Property
Cp,gas	939.24	J/mol×K	919.22	Calculated Property
Cp,gas	966.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002735; 0.0000381]	Pa×s	[555.98; 798.55]	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			-1.46923e+01
Coefficient B			3.60722e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			555.98
Temperature range, max.			798.55
η	0.0002735	Pa×s	555.98	Calculated Property
η	0.0002026	Pa×s	582.93	Calculated Property
η	0.0001541	Pa×s	609.89	Calculated Property
η	0.0001200	Pa×s	636.84	Calculated Property
η	0.0000953	Pa×s	663.79	Calculated Property
η	0.0000771	Pa×s	690.74	Calculated Property
η	0.0000634	Pa×s	717.70	Calculated Property
η	0.0000528	Pa×s	744.65	Calculated Property
η	0.0000446	Pa×s	771.60	Calculated Property
η	0.0000381	Pa×s	798.55	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptyl 2,3,5-trichlorophenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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