Chemical Properties of Diethylmalonic acid, 8-chlorooctyl isobutyl ester

InChI

InChI=1S/C19H35ClO4/c1-5-19(6-2,18(22)24-15-16(3)4)17(21)23-14-12-10-8-7-9-11-13-20/h16H,5-15H2,1-4H3

InChI Key

LMXJIWNPDHVCFW-UHFFFAOYSA-N

Formula

C19H35ClO4

SMILES

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

Molecular Weight¹

362.93

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[452.85; 1026.05]	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			2.31710e+01
Coefficient B			1.83778e+00
Coefficient C			-1.01600e-03
Coefficient D			1.81100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.85	J/mol×K	273.00	Calculated Property
Cp,gas	554.19	J/mol×K	353.78	Calculated Property
Cp,gas	644.79	J/mol×K	434.56	Calculated Property
Cp,gas	725.21	J/mol×K	515.33	Calculated Property
Cp,gas	796.02	J/mol×K	596.11	Calculated Property
Cp,gas	857.80	J/mol×K	676.89	Calculated Property
Cp,gas	911.12	J/mol×K	757.67	Calculated Property
Cp,gas	956.55	J/mol×K	838.44	Calculated Property
Cp,gas	994.67	J/mol×K	919.22	Calculated Property
Cp,gas	1026.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016221; 0.0000600]	Pa×s	[405.89; 678.83]	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			-1.46248e+01
Coefficient B			3.32860e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			405.89
Temperature range, max.			678.83
η	0.0016221	Pa×s	405.89	Calculated Property
η	0.0009172	Pa×s	436.22	Calculated Property
η	0.0005586	Pa×s	466.54	Calculated Property
η	0.0003614	Pa×s	496.87	Calculated Property
η	0.0002458	Pa×s	527.19	Calculated Property
η	0.0001744	Pa×s	557.52	Calculated Property
η	0.0001281	Pa×s	587.85	Calculated Property
η	0.0000971	Pa×s	618.17	Calculated Property
η	0.0000755	Pa×s	648.50	Calculated Property
η	0.0000600	Pa×s	678.83	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 8-chlorooctyl isobutyl 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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