Chemical Properties of Pentadecafluorooctanoic acid, 2-ethylhexyl ester

InChI

InChI=1S/C16H17F15O2/c1-3-5-6-8(4-2)7-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h8H,3-7H2,1-2H3

InChI Key

LRNRQNCWHBHJOC-UHFFFAOYSA-N

Formula

C16H17F15O2

SMILES

CCCCC(CC)COC(=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_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°	-3054.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-3626.55	kJ/mol	Joback Calculated Property
ΔfusH°	30.76	kJ/mol	Joback Calculated Property
ΔvapH°	38.65	kJ/mol	Joback Calculated Property
log10WS	-7.69		Crippen Calculated Property
logPoct/wat	7.120		Crippen Calculated Property
McVol	270.290	ml/mol	McGowan Calculated Property
Pc	951.42	kPa	Joback Calculated Property
Inp	[1145.00; 1145.00]
Inp	1145.00		NIST
Inp	1145.00		NIST
Tboil	607.77	K	Joback Calculated Property
Tc	749.27	K	Joback Calculated Property
Tfus	353.03	K	Joback Calculated Property
Vc	1.143	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.21; 887.70]	J/mol×K	[607.77; 749.27]
Cp,gas	813.21	J/mol×K	607.77	Joback Calculated Property
Cp,gas	827.77	J/mol×K	631.35	Joback Calculated Property
Cp,gas	841.40	J/mol×K	654.94	Joback Calculated Property
Cp,gas	854.15	J/mol×K	678.52	Joback Calculated Property
Cp,gas	866.08	J/mol×K	702.10	Joback Calculated Property
Cp,gas	877.25	J/mol×K	725.69	Joback Calculated Property
Cp,gas	887.70	J/mol×K	749.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, 2-ethylhexyl ester.

Sources

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

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