Chemical Properties of Pentadecafluorooctanoic acid, hexyl ester

InChI

InChI=1S/C14H13F15O2/c1-2-3-4-5-6-31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-6H2,1H3

InChI Key

KHELVFSKTOQOCW-UHFFFAOYSA-N

Formula

C14H13F15O2

SMILES

CCCCCCOC(=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

498.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-3069.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-3579.99	kJ/mol	Joback Calculated Property
ΔfusH°	29.11	kJ/mol	Joback Calculated Property
ΔvapH°	34.59	kJ/mol	Joback Calculated Property
log10WS	-7.09		Crippen Calculated Property
logPoct/wat	6.484		Crippen Calculated Property
McVol	242.110	ml/mol	McGowan Calculated Property
Pc	1069.36	kPa	Joback Calculated Property
Inp	[1116.00; 1116.00]
Inp	1116.00		NIST
Inp	1116.00		NIST
Tboil	562.45	K	Joback Calculated Property
Tc	698.15	K	Joback Calculated Property
Tfus	345.49	K	Joback Calculated Property
Vc	1.036	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.99; 777.52]	J/mol×K	[562.45; 698.15]
Cp,gas	706.99	J/mol×K	562.45	Joback Calculated Property
Cp,gas	720.80	J/mol×K	585.07	Joback Calculated Property
Cp,gas	733.72	J/mol×K	607.68	Joback Calculated Property
Cp,gas	745.81	J/mol×K	630.30	Joback Calculated Property
Cp,gas	757.11	J/mol×K	652.91	Joback Calculated Property
Cp,gas	767.66	J/mol×K	675.53	Joback Calculated Property
Cp,gas	777.52	J/mol×K	698.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, hexyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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