Chemical Properties of Dimethylmalonic acid, 2,5-dichlorophenyl ethyl ester

InChI

InChI=1S/C13H14Cl2O4/c1-4-18-11(16)13(2,3)12(17)19-10-7-8(14)5-6-9(10)15/h5-7H,4H2,1-3H3

InChI Key

PCRJTCKWWJXKBD-UHFFFAOYSA-N

Formula

C13H14Cl2O4

SMILES

CCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

305.16

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.41	kJ/mol	Joback Calculated Property
logPoct/wat	3.488		Crippen Calculated Property
McVol	209.630	ml/mol	McGowan Calculated Property
Inp	[1863.00; 1863.00]
Inp	1863.00		NIST
Inp	1863.00		NIST
Tboil	570.13	K	Relay (1.0) Calculated Property
Tfus	305.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[287.13; 599.63]	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			3.78910e+01
Coefficient B			1.07076e+00
Coefficient C			-6.03920e-04
Coefficient D			9.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.13	J/mol×K	273.00	Calculated Property
Cp,gas	345.32	J/mol×K	353.78	Calculated Property
Cp,gas	396.94	J/mol×K	434.56	Calculated Property
Cp,gas	442.29	J/mol×K	515.33	Calculated Property
Cp,gas	481.68	J/mol×K	596.11	Calculated Property
Cp,gas	515.41	J/mol×K	676.89	Calculated Property
Cp,gas	543.76	J/mol×K	757.67	Calculated Property
Cp,gas	567.05	J/mol×K	838.44	Calculated Property
Cp,gas	585.57	J/mol×K	919.22	Calculated Property
Cp,gas	599.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009551; 0.0001027]	Pa×s	[434.65; 661.33]	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			-1.34602e+01
Coefficient B			2.82804e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			434.65
Temperature range, max.			661.33
η	0.0009551	Pa×s	434.65	Calculated Property
η	0.0006688	Pa×s	459.84	Calculated Property
η	0.0004859	Pa×s	485.02	Calculated Property
η	0.0003644	Pa×s	510.21	Calculated Property
η	0.0002808	Pa×s	535.40	Calculated Property
η	0.0002214	Pa×s	560.58	Calculated Property
η	0.0001783	Pa×s	585.77	Calculated Property
η	0.0001461	Pa×s	610.96	Calculated Property
η	0.0001216	Pa×s	636.14	Calculated Property
η	0.0001027	Pa×s	661.33	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,5-dichlorophenyl ethyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.