Chemical Properties of Pentadecafluorooctanoic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C16H15F15O2/c1-3-4-5-6-7-8(2)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/h6-8H,3-5H2,1-2H3/b7-6+

InChI Key

YTNCTWJYJGADOP-VOTSOKGWSA-N

Formula

C16H15F15O2

SMILES

CCCCC=CC(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

524.27

• 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°	-2974.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-3509.33	kJ/mol	Joback Calculated Property
ΔfusH°	30.96	kJ/mol	Joback Calculated Property
ΔvapH°	38.61	kJ/mol	Joback Calculated Property
log10WS	-7.89		Crippen Calculated Property
logPoct/wat	7.039		Crippen Calculated Property
McVol	265.990	ml/mol	McGowan Calculated Property
Pc	982.69	kPa	Joback Calculated Property
Inp	[1215.00; 1215.00]
Inp	1215.00		NIST
Inp	1215.00		NIST
Tboil	611.93	K	Joback Calculated Property
Tc	756.21	K	Joback Calculated Property
Tfus	347.95	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.38; 864.17]	J/mol×K	[611.93; 756.21]
Cp,gas	793.38	J/mol×K	611.93	Joback Calculated Property
Cp,gas	807.35	J/mol×K	635.98	Joback Calculated Property
Cp,gas	820.36	J/mol×K	660.02	Joback Calculated Property
Cp,gas	832.49	J/mol×K	684.07	Joback Calculated Property
Cp,gas	843.79	J/mol×K	708.12	Joback Calculated Property
Cp,gas	854.33	J/mol×K	732.17	Joback Calculated Property
Cp,gas	864.17	J/mol×K	756.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, oct-3-en-2-yl ester.

Sources

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

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