Chemical Properties of Diethylmalonic acid, monochloride, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C9H12Cl4O3/c1-3-8(4-2,6(10)14)7(15)16-5-9(11,12)13/h3-5H2,1-2H3

InChI Key

OSZPCPWIAWYGCF-UHFFFAOYSA-N

Formula

C9H12Cl4O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

310.00

• 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°	26.99	kJ/mol	Joback Calculated Property
logPoct/wat	3.472		Crippen Calculated Property
McVol	195.640	ml/mol	McGowan Calculated Property
Inp	[1531.00; 1531.00]
Inp	1531.00		NIST
Inp	1531.00		NIST
Tboil	536.98	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	[264.37; 516.79]	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			3.00930e+01
Coefficient B			1.05484e+00
Coefficient C			-7.77700e-04
Coefficient D			2.09560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.37	J/mol×K	273.00	Calculated Property
Cp,gas	315.21	J/mol×K	353.78	Calculated Property
Cp,gas	358.82	J/mol×K	434.56	Calculated Property
Cp,gas	395.83	J/mol×K	515.33	Calculated Property
Cp,gas	426.93	J/mol×K	596.11	Calculated Property
Cp,gas	452.77	J/mol×K	676.89	Calculated Property
Cp,gas	474.01	J/mol×K	757.67	Calculated Property
Cp,gas	491.32	J/mol×K	838.44	Calculated Property
Cp,gas	505.36	J/mol×K	919.22	Calculated Property
Cp,gas	516.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020241; 0.0001749]	Pa×s	[407.97; 615.81]	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			-1.34584e+01
Coefficient B			2.96015e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			407.97
Temperature range, max.			615.81
η	0.0020241	Pa×s	407.97	Calculated Property
η	0.0013722	Pa×s	431.06	Calculated Property
η	0.0009678	Pa×s	454.16	Calculated Property
η	0.0007060	Pa×s	477.25	Calculated Property
η	0.0005302	Pa×s	500.34	Calculated Property
η	0.0004084	Pa×s	523.44	Calculated Property
η	0.0003216	Pa×s	546.53	Calculated Property
η	0.0002582	Pa×s	569.62	Calculated Property
η	0.0002109	Pa×s	592.72	Calculated Property
η	0.0001749	Pa×s	615.81	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2,2,2-trichloroethyl 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.