Chemical Properties of Dimethylmalonic acid, di(2,4,6-trichlorophenyl) ester

InChI

InChI=1S/C17H10Cl6O4/c1-17(2,15(24)26-13-9(20)3-7(18)4-10(13)21)16(25)27-14-11(22)5-8(19)6-12(14)23/h3-6H,1-2H3

InChI Key

JJNNXKRWAHPASX-UHFFFAOYSA-N

Formula

C17H10Cl6O4

SMILES

CC(C)(C(=O)Oc1c(Cl)cc(Cl)cc1Cl)C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

490.98

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.04	kJ/mol	Joback Calculated Property
log10WS	-7.89		Relay (1.0) Calculated Property
logPoct/wat	7.144		Crippen Calculated Property
McVol	291.190	ml/mol	McGowan Calculated Property
Inp	[2945.00; 2945.00]
Inp	2945.00		NIST
Inp	2945.00		NIST
Tfus	387.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[378.55; 708.39]	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			1.09110e+02
Coefficient B			1.16104e+00
Coefficient C			-6.66160e-04
Coefficient D			1.04400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.55	J/mol×K	273.00	Calculated Property
Cp,gas	441.11	J/mol×K	353.78	Calculated Property
Cp,gas	496.42	J/mol×K	434.56	Calculated Property
Cp,gas	544.81	J/mol×K	515.33	Calculated Property
Cp,gas	586.61	J/mol×K	596.11	Calculated Property
Cp,gas	622.16	J/mol×K	676.89	Calculated Property
Cp,gas	651.78	J/mol×K	757.67	Calculated Property
Cp,gas	675.81	J/mol×K	838.44	Calculated Property
Cp,gas	694.57	J/mol×K	919.22	Calculated Property
Cp,gas	708.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001280; 0.0000346]	Pa×s	[675.91; 886.86]	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			-1.44646e+01
Coefficient B			3.71834e+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.			675.91
Temperature range, max.			886.86
η	0.0001280	Pa×s	675.91	Calculated Property
η	0.0001065	Pa×s	699.35	Calculated Property
η	0.0000896	Pa×s	722.79	Calculated Property
η	0.0000762	Pa×s	746.23	Calculated Property
η	0.0000655	Pa×s	769.67	Calculated Property
η	0.0000568	Pa×s	793.11	Calculated Property
η	0.0000496	Pa×s	816.54	Calculated Property
η	0.0000437	Pa×s	839.98	Calculated Property
η	0.0000388	Pa×s	863.42	Calculated Property
η	0.0000346	Pa×s	886.86	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2,4,6-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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