Chemical Properties of Diethylmalonic acid, decyl 2,4-dichloronaphth-1-yl ester

InChI

InChI=1S/C27H36Cl2O4/c1-4-7-8-9-10-11-12-15-18-32-25(30)27(5-2,6-3)26(31)33-24-21-17-14-13-16-20(21)22(28)19-23(24)29/h13-14,16-17,19H,4-12,15,18H2,1-3H3

InChI Key

LKFIVNZIFASHNK-UHFFFAOYSA-N

Formula

C27H36Cl2O4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

495.49

• 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).
• 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, 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	[545.67; 1228.08]	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			8.02100e+00
Coefficient B			2.33756e+00
Coefficient C			-1.43520e-03
Coefficient D			3.17700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	545.67	J/mol×K	273.00	Calculated Property
Cp,gas	669.44	J/mol×K	353.78	Calculated Property
Cp,gas	778.87	J/mol×K	434.56	Calculated Property
Cp,gas	874.98	J/mol×K	515.33	Calculated Property
Cp,gas	958.77	J/mol×K	596.11	Calculated Property
Cp,gas	1031.24	J/mol×K	676.89	Calculated Property
Cp,gas	1093.41	J/mol×K	757.67	Calculated Property
Cp,gas	1146.26	J/mol×K	838.44	Calculated Property
Cp,gas	1190.82	J/mol×K	919.22	Calculated Property
Cp,gas	1228.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001859; 0.0000308]	Pa×s	[637.65; 913.60]	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			-1.45455e+01
Coefficient B			3.79746e+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.			637.65
Temperature range, max.			913.60
η	0.0001859	Pa×s	637.65	Calculated Property
η	0.0001415	Pa×s	668.31	Calculated Property
η	0.0001103	Pa×s	698.97	Calculated Property
η	0.0000878	Pa×s	729.63	Calculated Property
η	0.0000711	Pa×s	760.30	Calculated Property
η	0.0000586	Pa×s	790.96	Calculated Property
η	0.0000490	Pa×s	821.62	Calculated Property
η	0.0000415	Pa×s	852.28	Calculated Property
η	0.0000356	Pa×s	882.94	Calculated Property
η	0.0000308	Pa×s	913.60	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 2,4-dichloronaphth-1-yl ester.

Sources

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

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