Chemical Properties of Diethylmalonic acid, 4-chlorophenyl octyl ester

InChI

InChI=1S/C21H31ClO4/c1-4-7-8-9-10-11-16-25-19(23)21(5-2,6-3)20(24)26-18-14-12-17(22)13-15-18/h12-15H,4-11,16H2,1-3H3

InChI Key

OJVARQCOIPPGMU-UHFFFAOYSA-N

Formula

C21H31ClO4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

382.93

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[440.88; 1007.13]	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			3.42900e+00
Coefficient B			1.88346e+00
Coefficient C			-1.08576e-03
Coefficient D			2.06000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	440.88	J/mol×K	273.00	Calculated Property
Cp,gas	542.98	J/mol×K	353.78	Calculated Property
Cp,gas	633.77	J/mol×K	434.56	Calculated Property
Cp,gas	713.89	J/mol×K	515.33	Calculated Property
Cp,gas	783.99	J/mol×K	596.11	Calculated Property
Cp,gas	844.74	J/mol×K	676.89	Calculated Property
Cp,gas	896.77	J/mol×K	757.67	Calculated Property
Cp,gas	940.75	J/mol×K	838.44	Calculated Property
Cp,gas	977.32	J/mol×K	919.22	Calculated Property
Cp,gas	1007.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005817; 0.0000457]	Pa×s	[482.37; 747.37]	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			-1.46252e+01
Coefficient B			3.46126e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			482.37
Temperature range, max.			747.37
η	0.0005817	Pa×s	482.37	Calculated Property
η	0.0003849	Pa×s	511.81	Calculated Property
η	0.0002665	Pa×s	541.26	Calculated Property
η	0.0001916	Pa×s	570.70	Calculated Property
η	0.0001423	Pa×s	600.15	Calculated Property
η	0.0001086	Pa×s	629.59	Calculated Property
η	0.0000850	Pa×s	659.03	Calculated Property
η	0.0000679	Pa×s	688.48	Calculated Property
η	0.0000552	Pa×s	717.92	Calculated Property
η	0.0000457	Pa×s	747.37	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chlorophenyl octyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.