Chemical Properties of Dimethylmalonic acid, di(2,3-dichlorophenyl) ester

InChI

InChI=1S/C17H12Cl4O4/c1-17(2,15(22)24-11-7-3-5-9(18)13(11)20)16(23)25-12-8-4-6-10(19)14(12)21/h3-8H,1-2H3

InChI Key

GPXRDTIKSOTOEJ-UHFFFAOYSA-N

Formula

C17H12Cl4O4

SMILES

CC(C)(C(=O)Oc1cccc(Cl)c1Cl)C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

422.09

• 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).
• 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°	44.42	kJ/mol	Joback Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	5.837		Crippen Calculated Property
McVol	266.710	ml/mol	McGowan Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST
Tfus	375.16	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 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	[346.64; 697.93]	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			5.47300e+01
Coefficient B			1.26644e+00
Coefficient C			-7.59440e-04
Coefficient D			1.36200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.64	J/mol×K	273.00	Calculated Property
Cp,gas	413.75	J/mol×K	353.78	Calculated Property
Cp,gas	472.83	J/mol×K	434.56	Calculated Property
Cp,gas	524.33	J/mol×K	515.33	Calculated Property
Cp,gas	568.65	J/mol×K	596.11	Calculated Property
Cp,gas	606.25	J/mol×K	676.89	Calculated Property
Cp,gas	637.55	J/mol×K	757.67	Calculated Property
Cp,gas	662.97	J/mol×K	838.44	Calculated Property
Cp,gas	682.95	J/mol×K	919.22	Calculated Property
Cp,gas	697.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002410; 0.0000458]	Pa×s	[591.03; 823.18]	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			-1.42158e+01
Coefficient B			3.47822e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			591.03
Temperature range, max.			823.18
η	0.0002410	Pa×s	591.03	Calculated Property
η	0.0001884	Pa×s	616.82	Calculated Property
η	0.0001503	Pa×s	642.62	Calculated Property
η	0.0001219	Pa×s	668.41	Calculated Property
η	0.0001005	Pa×s	694.21	Calculated Property
η	0.0000840	Pa×s	720.00	Calculated Property
η	0.0000711	Pa×s	745.79	Calculated Property
η	0.0000608	Pa×s	771.59	Calculated Property
η	0.0000526	Pa×s	797.38	Calculated Property
η	0.0000458	Pa×s	823.18	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2,3-dichlorophenyl) 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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