Chemical Properties of Diethylmalonic acid, pentyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C15H23F5O4/c1-4-7-8-9-23-11(21)13(5-2,6-3)12(22)24-10-14(16,17)15(18,19)20/h4-10H2,1-3H3

InChI Key

WWWBFICHNVQQAB-UHFFFAOYSA-N

Formula

C15H23F5O4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

362.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1992.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.50	kJ/mol	Joback Calculated Property
ΔvapH°	74.85	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	4.267		Crippen Calculated Property
McVol	245.940	ml/mol	McGowan Calculated Property
Pc	1261.06	kPa	Joback Calculated Property
Inp	[1363.00; 1363.00]
Inp	1363.00		NIST
Inp	1363.00		NIST
Tboil	514.98	K	Relay (1.0) Calculated Property
Tc	660.04	K	Relay (1.0) Calculated Property
Tfus	266.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[392.98; 849.17]	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			-2.89300e+00
Coefficient B			1.75566e+00
Coefficient C			-1.20040e-03
Coefficient D			2.96800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	392.98	J/mol×K	273.00	Calculated Property
Cp,gas	481.12	J/mol×K	353.78	Calculated Property
Cp,gas	557.71	J/mol×K	434.56	Calculated Property
Cp,gas	623.69	J/mol×K	515.33	Calculated Property
Cp,gas	679.99	J/mol×K	596.11	Calculated Property
Cp,gas	727.54	J/mol×K	676.89	Calculated Property
Cp,gas	767.30	J/mol×K	757.67	Calculated Property
Cp,gas	800.20	J/mol×K	838.44	Calculated Property
Cp,gas	827.18	J/mol×K	919.22	Calculated Property
Cp,gas	849.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

• Cheméo Relay (1.0)
• 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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