Chemical Properties of Pentadecafluorooctanoic acid, dec-2-yl ester

InChI

InChI=1S/C18H21F15O2/c1-3-4-5-6-7-8-9-10(2)35-11(34)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h10H,3-9H2,1-2H3

InChI Key

RECZSEBAZTWVJJ-UHFFFAOYSA-N

Formula

C18H21F15O2

SMILES

CCCCCCCCC(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

554.33

• 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°	37.52	kJ/mol	Joback Calculated Property
logPoct/wat	8.043		Crippen Calculated Property
McVol	298.470	ml/mol	McGowan Calculated Property
Inp	[1392.00; 1392.00]
Inp	1392.00		NIST
Inp	1392.00		NIST
Tboil	520.89	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	[516.11; 1072.95]	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			-6.96930e+01
Coefficient B			2.72254e+00
Coefficient C			-2.31260e-03
Coefficient D			7.32700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	516.11	J/mol×K	273.00	Calculated Property
Cp,gas	636.48	J/mol×K	353.78	Calculated Property
Cp,gas	736.82	J/mol×K	434.56	Calculated Property
Cp,gas	819.44	J/mol×K	515.33	Calculated Property
Cp,gas	886.67	J/mol×K	596.11	Calculated Property
Cp,gas	940.82	J/mol×K	676.89	Calculated Property
Cp,gas	984.20	J/mol×K	757.67	Calculated Property
Cp,gas	1019.14	J/mol×K	838.44	Calculated Property
Cp,gas	1047.95	J/mol×K	919.22	Calculated Property
Cp,gas	1072.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, dec-2-yl 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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