Chemical Properties of Diethylmalonic acid, 2-chlorophenyl hexadecyl ester

InChI

InChI=1S/C29H47ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-27(31)29(5-2,6-3)28(32)34-26-23-20-19-22-25(26)30/h19-20,22-23H,4-18,21,24H2,1-3H3

InChI Key

RKKWUSZOYDZFGU-UHFFFAOYSA-N

Formula

C29H47ClO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1Cl

Molecular Weight¹

495.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[610.59; 1419.86]	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			-3.84300e+00
Coefficient B			2.64346e+00
Coefficient C			-1.52096e-03
Coefficient D			3.01200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	610.59	J/mol×K	273.00	Calculated Property
Cp,gas	754.33	J/mol×K	353.78	Calculated Property
Cp,gas	882.39	J/mol×K	434.56	Calculated Property
Cp,gas	995.72	J/mol×K	515.33	Calculated Property
Cp,gas	1095.28	J/mol×K	596.11	Calculated Property
Cp,gas	1182.03	J/mol×K	676.89	Calculated Property
Cp,gas	1256.90	J/mol×K	757.67	Calculated Property
Cp,gas	1320.87	J/mol×K	838.44	Calculated Property
Cp,gas	1374.87	J/mol×K	919.22	Calculated Property
Cp,gas	1419.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001843; 0.0000127]	Pa×s	[572.53; 899.36]	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			-1.59602e+01
Coefficient B			4.21454e+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.			572.53
Temperature range, max.			899.36
η	0.0001843	Pa×s	572.53	Calculated Property
η	0.0001188	Pa×s	608.84	Calculated Property
η	0.0000805	Pa×s	645.16	Calculated Property
η	0.0000568	Pa×s	681.47	Calculated Property
η	0.0000416	Pa×s	717.79	Calculated Property
η	0.0000313	Pa×s	754.10	Calculated Property
η	0.0000242	Pa×s	790.42	Calculated Property
η	0.0000192	Pa×s	826.73	Calculated Property
η	0.0000155	Pa×s	863.05	Calculated Property
η	0.0000127	Pa×s	899.36	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chlorophenyl hexadecyl ester.

Sources

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

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