Chemical Properties of Diethylmalonic acid, 3,5-dichlorophenyl pentyl ester

InChI

InChI=1S/C18H24Cl2O4/c1-4-7-8-9-23-16(21)18(5-2,6-3)17(22)24-15-11-13(19)10-14(20)12-15/h10-12H,4-9H2,1-3H3

InChI Key

QIYIIHDRVNPUBC-UHFFFAOYSA-N

Formula

C18H24Cl2O4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(Cl)cc(Cl)c1

Molecular Weight¹

375.29

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[393.20; 857.59]	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			3.33460e+01
Coefficient B			1.54576e+00
Coefficient C			-8.75920e-04
Coefficient D			1.54400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	393.20	J/mol×K	273.00	Calculated Property
Cp,gas	477.41	J/mol×K	353.78	Calculated Property
Cp,gas	552.33	J/mol×K	434.56	Calculated Property
Cp,gas	618.44	J/mol×K	515.33	Calculated Property
Cp,gas	676.24	J/mol×K	596.11	Calculated Property
Cp,gas	726.21	J/mol×K	676.89	Calculated Property
Cp,gas	768.84	J/mol×K	757.67	Calculated Property
Cp,gas	804.62	J/mol×K	838.44	Calculated Property
Cp,gas	834.04	J/mol×K	919.22	Calculated Property
Cp,gas	857.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005369; 0.0000584]	Pa×s	[491.00; 733.03]	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			-1.42483e+01
Coefficient B			3.29884e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			491.00
Temperature range, max.			733.03
η	0.0005369	Pa×s	491.00	Calculated Property
η	0.0003788	Pa×s	517.89	Calculated Property
η	0.0002766	Pa×s	544.78	Calculated Property
η	0.0002080	Pa×s	571.68	Calculated Property
η	0.0001605	Pa×s	598.57	Calculated Property
η	0.0001267	Pa×s	625.46	Calculated Property
η	0.0001019	Pa×s	652.35	Calculated Property
η	0.0000834	Pa×s	679.25	Calculated Property
η	0.0000693	Pa×s	706.14	Calculated Property
η	0.0000584	Pa×s	733.03	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3,5-dichlorophenyl pentyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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