Chemical Properties of Diethylmalonic acid, 2-fluorophenyl pentyl ester

InChI

InChI=1S/C18H25FO4/c1-4-7-10-13-22-16(20)18(5-2,6-3)17(21)23-15-12-9-8-11-14(15)19/h8-9,11-12H,4-7,10,13H2,1-3H3

InChI Key

DFJBBVBCRHOBKU-UHFFFAOYSA-N

Formula

C18H25FO4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1F

Molecular Weight¹

324.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	[372.04; 851.16]	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			-6.44000e-01
Coefficient B			1.60346e+00
Coefficient C			-9.18560e-04
Coefficient D			1.66900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.04	J/mol×K	273.00	Calculated Property
Cp,gas	459.05	J/mol×K	353.78	Calculated Property
Cp,gas	536.38	J/mol×K	434.56	Calculated Property
Cp,gas	604.57	J/mol×K	515.33	Calculated Property
Cp,gas	664.14	J/mol×K	596.11	Calculated Property
Cp,gas	715.62	J/mol×K	676.89	Calculated Property
Cp,gas	759.53	J/mol×K	757.67	Calculated Property
Cp,gas	796.40	J/mol×K	838.44	Calculated Property
Cp,gas	826.77	J/mol×K	919.22	Calculated Property
Cp,gas	851.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl pentyl ester.

Sources

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

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