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

InChI

InChI=1S/C22H26Cl2O4/c1-4-7-10-13-27-20(25)22(5-2,6-3)21(26)28-19-16-12-9-8-11-15(16)17(23)14-18(19)24/h8-9,11-12,14H,4-7,10,13H2,1-3H3

InChI Key

IPUBKCSOFFDYQO-UHFFFAOYSA-N

Formula

C22H26Cl2O4

SMILES

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

Molecular Weight¹

425.35

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[439.61; 970.13]	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			1.25660e+01
Coefficient B			1.86256e+00
Coefficient C			-1.16320e-03
Coefficient D			2.58200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	439.61	J/mol×K	273.00	Calculated Property
Cp,gas	537.35	J/mol×K	353.78	Calculated Property
Cp,gas	623.48	J/mol×K	434.56	Calculated Property
Cp,gas	698.83	J/mol×K	515.33	Calculated Property
Cp,gas	764.21	J/mol×K	596.11	Calculated Property
Cp,gas	820.44	J/mol×K	676.89	Calculated Property
Cp,gas	868.32	J/mol×K	757.67	Calculated Property
Cp,gas	908.69	J/mol×K	838.44	Calculated Property
Cp,gas	942.35	J/mol×K	919.22	Calculated Property
Cp,gas	970.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003421; 0.0000635]	Pa×s	[581.30; 823.79]	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			-1.37031e+01
Coefficient B			3.32666e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			581.30
Temperature range, max.			823.79
η	0.0003421	Pa×s	581.30	Calculated Property
η	0.0002655	Pa×s	608.24	Calculated Property
η	0.0002106	Pa×s	635.19	Calculated Property
η	0.0001701	Pa×s	662.13	Calculated Property
η	0.0001398	Pa×s	689.07	Calculated Property
η	0.0001166	Pa×s	716.01	Calculated Property
η	0.0000985	Pa×s	742.96	Calculated Property
η	0.0000842	Pa×s	769.90	Calculated Property
η	0.0000728	Pa×s	796.84	Calculated Property
η	0.0000635	Pa×s	823.79	Calculated Property

Similar Compounds

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

Sources

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

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