Chemical Properties of Diethylmalonic acid, 8-chlorooctyl propyl ester

InChI

InChI=1S/C18H33ClO4/c1-4-14-22-16(20)18(5-2,6-3)17(21)23-15-12-10-8-7-9-11-13-19/h4-15H2,1-3H3

InChI Key

JBZYMIOIVGRDCQ-UHFFFAOYSA-N

Formula

C18H33ClO4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)OCCCCCCCCCl

Molecular Weight¹

348.90

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

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[431.95; 973.92]	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			2.57620e+01
Coefficient B			1.73686e+00
Coefficient C			-9.58400e-04
Coefficient D			1.69700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	431.95	J/mol×K	273.00	Calculated Property
Cp,gas	527.79	J/mol×K	353.78	Calculated Property
Cp,gas	613.47	J/mol×K	434.56	Calculated Property
Cp,gas	689.53	J/mol×K	515.33	Calculated Property
Cp,gas	756.50	J/mol×K	596.11	Calculated Property
Cp,gas	814.93	J/mol×K	676.89	Calculated Property
Cp,gas	865.36	J/mol×K	757.67	Calculated Property
Cp,gas	908.30	J/mol×K	838.44	Calculated Property
Cp,gas	944.31	J/mol×K	919.22	Calculated Property
Cp,gas	973.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014629; 0.0000751]	Pa×s	[409.62; 661.19]	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			-1.43312e+01
Coefficient B			3.19662e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			409.62
Temperature range, max.			661.19
η	0.0014629	Pa×s	409.62	Calculated Property
η	0.0008886	Pa×s	437.57	Calculated Property
η	0.0005731	Pa×s	465.53	Calculated Property
η	0.0003884	Pa×s	493.48	Calculated Property
η	0.0002745	Pa×s	521.43	Calculated Property
η	0.0002009	Pa×s	549.38	Calculated Property
η	0.0001516	Pa×s	577.34	Calculated Property
η	0.0001174	Pa×s	605.29	Calculated Property
η	0.0000930	Pa×s	633.24	Calculated Property
η	0.0000751	Pa×s	661.19	Calculated Property

Similar Compounds

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