Chemical Properties of Dimethylmalonic acid, 4-chlorophenyl octyl ester

InChI

InChI=1S/C19H27ClO4/c1-4-5-6-7-8-9-14-23-17(21)19(2,3)18(22)24-16-12-10-15(20)11-13-16/h10-13H,4-9,14H2,1-3H3

InChI Key

ULBNLQQQXAJKOQ-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

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

Molecular Weight¹

354.87

• 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	[398.46; 903.95]	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			5.24700e+00
Coefficient B			1.69346e+00
Coefficient C			-9.76960e-04
Coefficient D			1.82200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	398.46	J/mol×K	273.00	Calculated Property
Cp,gas	490.15	J/mol×K	353.78	Calculated Property
Cp,gas	571.61	J/mol×K	434.56	Calculated Property
Cp,gas	643.43	J/mol×K	515.33	Calculated Property
Cp,gas	706.17	J/mol×K	596.11	Calculated Property
Cp,gas	760.42	J/mol×K	676.89	Calculated Property
Cp,gas	806.74	J/mol×K	757.67	Calculated Property
Cp,gas	845.72	J/mol×K	838.44	Calculated Property
Cp,gas	877.93	J/mol×K	919.22	Calculated Property
Cp,gas	903.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007575; 0.0000596]	Pa×s	[459.83; 715.36]	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			-1.43032e+01
Coefficient B			3.27294e+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.			459.83
Temperature range, max.			715.36
η	0.0007575	Pa×s	459.83	Calculated Property
η	0.0005007	Pa×s	488.22	Calculated Property
η	0.0003464	Pa×s	516.61	Calculated Property
η	0.0002490	Pa×s	545.01	Calculated Property
η	0.0001850	Pa×s	573.40	Calculated Property
η	0.0001413	Pa×s	601.79	Calculated Property
η	0.0001106	Pa×s	630.18	Calculated Property
η	0.0000884	Pa×s	658.57	Calculated Property
η	0.0000720	Pa×s	686.96	Calculated Property
η	0.0000596	Pa×s	715.36	Calculated Property

Similar Compounds

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

Sources

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

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