Chemical Properties of Pentadecafluorooctanoic acid, octyl ester

InChI

InChI=1S/C16H17F15O2/c1-2-3-4-5-6-7-8-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-8H2,1H3

InChI Key

VEBKXAIAEQLIIR-UHFFFAOYSA-N

Formula

C16H17F15O2

SMILES

CCCCCCCCOC(=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

526.28

• 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	-3672.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.28	kJ/mol	Joback Calculated Property
ΔvapH°	74.73	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.36		Relay (1.0) Calculated Property
logPoct/wat	7.264		Crippen Calculated Property
McVol	270.290	ml/mol	McGowan Calculated Property
Pc	946.75	kPa	Joback Calculated Property
Inp	[1289.00; 1289.00]
Inp	1289.00		NIST
Inp	1289.00		NIST
Tboil	513.78	K	Relay (1.0) Calculated Property
Tc	625.92	K	Relay (1.0) Calculated Property
Tfus	281.39	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[812.86; 886.77]	J/mol×K	[608.21; 748.85]
Cp,gas	812.86	J/mol×K	608.21	Joback Calculated Property
Cp,gas	827.29	J/mol×K	631.65	Joback Calculated Property
Cp,gas	840.80	J/mol×K	655.09	Joback Calculated Property
Cp,gas	853.45	J/mol×K	678.53	Joback Calculated Property
Cp,gas	865.29	J/mol×K	701.97	Joback Calculated Property
Cp,gas	876.38	J/mol×K	725.41	Joback Calculated Property
Cp,gas	886.77	J/mol×K	748.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, octyl 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.