Chemical Properties of Diethylmalonic acid, dipentafluorophenyl ester

InChI

InChI=1S/C19H10F10O4/c1-3-19(4-2,17(30)32-15-11(26)7(22)5(20)8(23)12(15)27)18(31)33-16-13(28)9(24)6(21)10(25)14(16)29/h3-4H2,1-2H3

InChI Key

IFIFPJPMGPOFLS-UHFFFAOYSA-N

Formula

C19H10F10O4

SMILES

CCC(CC)(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

492.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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

Property	Value	Unit	Source
ΔfusH°	61.28	kJ/mol	Joback Calculated Property
logPoct/wat	5.395		Crippen Calculated Property
McVol	263.630	ml/mol	McGowan Calculated Property
Inp	[1823.00; 1823.00]
Inp	1823.00		NIST
Inp	1823.00		NIST
Tboil	568.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[432.74; 820.49]	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			1.48052e+02
Coefficient B			1.19024e+00
Coefficient C			-5.48400e-04
Coefficient D			3.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	432.74	J/mol×K	273.00	Calculated Property
Cp,gas	501.85	J/mol×K	353.78	Calculated Property
Cp,gas	564.23	J/mol×K	434.56	Calculated Property
Cp,gas	619.97	J/mol×K	515.33	Calculated Property
Cp,gas	669.18	J/mol×K	596.11	Calculated Property
Cp,gas	711.94	J/mol×K	676.89	Calculated Property
Cp,gas	748.35	J/mol×K	757.67	Calculated Property
Cp,gas	778.52	J/mol×K	838.44	Calculated Property
Cp,gas	802.53	J/mol×K	919.22	Calculated Property
Cp,gas	820.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dipentafluorophenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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