Chemical Properties of Diethylmalonic acid, 8-chlorooctyl hexyl ester

InChI

InChI=1S/C21H39ClO4/c1-4-7-8-14-17-25-19(23)21(5-2,6-3)20(24)26-18-15-12-10-9-11-13-16-22/h4-18H2,1-3H3

InChI Key

BJGQOOJGGDOVGA-UHFFFAOYSA-N

Formula

C21H39ClO4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)OCCCCCCCCCl

Molecular Weight¹

390.99

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.59; 1128.70]	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			2.30350e+01
Coefficient B			2.02186e+00
Coefficient C			-1.12160e-03
Coefficient D			2.05400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	495.59	J/mol×K	273.00	Calculated Property
Cp,gas	607.04	J/mol×K	353.78	Calculated Property
Cp,gas	706.70	J/mol×K	434.56	Calculated Property
Cp,gas	795.22	J/mol×K	515.33	Calculated Property
Cp,gas	873.24	J/mol×K	596.11	Calculated Property
Cp,gas	941.42	J/mol×K	676.89	Calculated Property
Cp,gas	1000.40	J/mol×K	757.67	Calculated Property
Cp,gas	1050.85	J/mol×K	838.44	Calculated Property
Cp,gas	1093.39	J/mol×K	919.22	Calculated Property
Cp,gas	1128.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009411; 0.0000483]	Pa×s	[443.43; 713.56]	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			-1.48143e+01
Coefficient B			3.47910e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			443.43
Temperature range, max.			713.56
η	0.0009411	Pa×s	443.43	Calculated Property
η	0.0005723	Pa×s	473.44	Calculated Property
η	0.0003693	Pa×s	503.46	Calculated Property
η	0.0002503	Pa×s	533.47	Calculated Property
η	0.0001769	Pa×s	563.49	Calculated Property
η	0.0001294	Pa×s	593.50	Calculated Property
η	0.0000976	Pa×s	623.52	Calculated Property
η	0.0000755	Pa×s	653.53	Calculated Property
η	0.0000598	Pa×s	683.55	Calculated Property
η	0.0000483	Pa×s	713.56	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 8-chlorooctyl hexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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