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

InChI

InChI=1S/C9H13Cl3O3/c1-3-9(4-2,7(12)13)8(14)15-5-6(10)11/h6H,3-5H2,1-2H3

InChI Key

CECXJNPFGGUCOD-UHFFFAOYSA-N

Formula

C9H13Cl3O3

SMILES

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

Molecular Weight¹

275.56

• 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°	26.69	kJ/mol	Joback Calculated Property
logPoct/wat	2.905		Crippen Calculated Property
McVol	183.400	ml/mol	McGowan Calculated Property
Inp	[1481.00; 1481.00]
Inp	1481.00		NIST
Inp	1481.00		NIST
Tboil	531.93	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	[252.11; 507.59]	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			3.99930e+01
Coefficient B			9.28140e-01
Coefficient C			-5.88700e-04
Coefficient D			1.28160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.11	J/mol×K	273.00	Calculated Property
Cp,gas	300.34	J/mol×K	353.78	Calculated Property
Cp,gas	342.67	J/mol×K	434.56	Calculated Property
Cp,gas	379.49	J/mol×K	515.33	Calculated Property
Cp,gas	411.22	J/mol×K	596.11	Calculated Property
Cp,gas	438.26	J/mol×K	676.89	Calculated Property
Cp,gas	461.01	J/mol×K	757.67	Calculated Property
Cp,gas	479.88	J/mol×K	838.44	Calculated Property
Cp,gas	495.27	J/mol×K	919.22	Calculated Property
Cp,gas	507.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033090; 0.0002133]	Pa×s	[360.63; 583.85]	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			-1.28822e+01
Coefficient B			2.58611e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			360.63
Temperature range, max.			583.85
η	0.0033090	Pa×s	360.63	Calculated Property
η	0.0020859	Pa×s	385.43	Calculated Property
η	0.0013903	Pa×s	410.23	Calculated Property
η	0.0009706	Pa×s	435.04	Calculated Property
η	0.0007043	Pa×s	459.84	Calculated Property
η	0.0005282	Pa×s	484.64	Calculated Property
η	0.0004073	Pa×s	509.44	Calculated Property
η	0.0003218	Pa×s	534.25	Calculated Property
η	0.0002596	Pa×s	559.05	Calculated Property
η	0.0002133	Pa×s	583.85	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2,2-dichloroethyl 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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