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

InChI

InChI=1S/C15H15F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h6-8H,3-5H2,1-2H3/b7-6+

InChI Key

VBECRBLNWKRCRC-VOTSOKGWSA-N

Formula

C15H15F5O2

SMILES

CCCCC=CC(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

322.27

• 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°	-990.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1287.16	kJ/mol	Joback Calculated Property
ΔfusH°	41.57	kJ/mol	Joback Calculated Property
ΔvapH°	59.21	kJ/mol	Joback Calculated Property
log10WS	-6.27		Crippen Calculated Property
logPoct/wat	4.674		Crippen Calculated Property
McVol	210.440	ml/mol	McGowan Calculated Property
Pc	1573.45	kPa	Joback Calculated Property
Inp	[1533.00; 1533.00]
Inp	1533.00		NIST
Inp	1533.00		NIST
Tboil	670.54	K	Joback Calculated Property
Tc	847.25	K	Joback Calculated Property
Tfus	402.86	K	Joback Calculated Property
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.52; 630.24]	J/mol×K	[670.54; 847.25]
Cp,gas	562.52	J/mol×K	670.54	Joback Calculated Property
Cp,gas	575.33	J/mol×K	699.99	Joback Calculated Property
Cp,gas	587.52	J/mol×K	729.44	Joback Calculated Property
Cp,gas	599.09	J/mol×K	758.90	Joback Calculated Property
Cp,gas	610.06	J/mol×K	788.35	Joback Calculated Property
Cp,gas	620.44	J/mol×K	817.80	Joback Calculated Property
Cp,gas	630.24	J/mol×K	847.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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