Chemical Properties of Dimethylmalonic acid, pentyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C16H19Cl3O4/c1-4-5-6-7-22-14(20)16(2,3)15(21)23-12-9-10(17)8-11(18)13(12)19/h8-9H,4-7H2,1-3H3

InChI Key

LSGBEIHCRQPEGS-UHFFFAOYSA-N

Formula

C16H19Cl3O4

SMILES

CCCCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

381.68

• 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

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	[366.73; 759.63]	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			6.23540e+01
Coefficient B			1.30306e+00
Coefficient C			-7.20480e-04
Coefficient D			1.14700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.73	J/mol×K	273.00	Calculated Property
Cp,gas	438.25	J/mol×K	353.78	Calculated Property
Cp,gas	501.96	J/mol×K	434.56	Calculated Property
Cp,gas	558.22	J/mol×K	515.33	Calculated Property
Cp,gas	607.40	J/mol×K	596.11	Calculated Property
Cp,gas	649.84	J/mol×K	676.89	Calculated Property
Cp,gas	685.93	J/mol×K	757.67	Calculated Property
Cp,gas	716.01	J/mol×K	838.44	Calculated Property
Cp,gas	740.46	J/mol×K	919.22	Calculated Property
Cp,gas	759.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004483; 0.0000649]	Pa×s	[510.90; 735.80]	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			-1.40334e+01
Coefficient B			3.23058e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			510.90
Temperature range, max.			735.80
η	0.0004483	Pa×s	510.90	Calculated Property
η	0.0003338	Pa×s	535.89	Calculated Property
η	0.0002552	Pa×s	560.88	Calculated Property
η	0.0001996	Pa×s	585.87	Calculated Property
η	0.0001593	Pa×s	610.85	Calculated Property
η	0.0001294	Pa×s	635.84	Calculated Property
η	0.0001068	Pa×s	660.83	Calculated Property
η	0.0000894	Pa×s	685.82	Calculated Property
η	0.0000757	Pa×s	710.81	Calculated Property
η	0.0000649	Pa×s	735.80	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, pentyl 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

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