Chemical Properties of 2,6-Difluorobenzoic acid,2-tetradecyl ester

InChI

InChI=1S/C21H32F2O2/c1-3-4-5-6-7-8-9-10-11-12-14-17(2)25-21(24)20-18(22)15-13-16-19(20)23/h13,15-17H,3-12,14H2,1-2H3

InChI Key

KBBPJXMHNWSYRA-UHFFFAOYSA-N

Formula

C21H32F2O2

SMILES

CCCCCCCCCCCCC(C)OC(=O)c1c(F)cccc1F

Molecular Weight¹

354.47

• 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°	50.41	kJ/mol	Joback Calculated Property
logPoct/wat	6.821		Crippen Calculated Property
McVol	293.970	ml/mol	McGowan Calculated Property
Inp	[2257.00; 2257.00]
Inp	2257.00		NIST
Inp	2257.00		NIST
Tboil	606.60	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	[431.24; 1000.92]	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			1.44010e+01
Coefficient B			1.77564e+00
Coefficient C			-9.57120e-04
Coefficient D			1.68000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	431.24	J/mol×K	273.00	Calculated Property
Cp,gas	530.23	J/mol×K	353.78	Calculated Property
Cp,gas	619.06	J/mol×K	434.56	Calculated Property
Cp,gas	698.26	J/mol×K	515.33	Calculated Property
Cp,gas	768.36	J/mol×K	596.11	Calculated Property
Cp,gas	829.88	J/mol×K	676.89	Calculated Property
Cp,gas	883.37	J/mol×K	757.67	Calculated Property
Cp,gas	929.35	J/mol×K	838.44	Calculated Property
Cp,gas	968.36	J/mol×K	919.22	Calculated Property
Cp,gas	1000.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluorobenzoic acid,2-tetradecyl 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.
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