Chemical Properties of Pentafluorobenzoic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C10H4ClF5O2/c11-2-1-3-18-10(17)4-5(12)7(14)9(16)8(15)6(4)13/h1-2H,3H2/b2-1+

InChI Key

LAYNCYUILTUINL-OWOJBTEDSA-N

Formula

C10H4ClF5O2

SMILES

O=C(OCC=CCl)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

286.58

• 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°	-1042.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1194.42	kJ/mol	Joback Calculated Property
ΔfusH°	36.34	kJ/mol	Joback Calculated Property
ΔvapH°	52.85	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	3.291		Crippen Calculated Property
McVol	152.230	ml/mol	McGowan Calculated Property
Pc	2298.11	kPa	Joback Calculated Property
Inp	[1341.00; 1341.00]
Inp	1341.00		NIST
Inp	1341.00		NIST
Tboil	594.01	K	Joback Calculated Property
Tc	778.16	K	Joback Calculated Property
Tfus	391.43	K	Joback Calculated Property
Vc	0.630	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.12; 387.22]	J/mol×K	[594.01; 778.16]
Cp,gas	343.12	J/mol×K	594.01	Joback Calculated Property
Cp,gas	351.48	J/mol×K	624.70	Joback Calculated Property
Cp,gas	359.43	J/mol×K	655.39	Joback Calculated Property
Cp,gas	366.97	J/mol×K	686.08	Joback Calculated Property
Cp,gas	374.11	J/mol×K	716.78	Joback Calculated Property
Cp,gas	380.86	J/mol×K	747.47	Joback Calculated Property
Cp,gas	387.22	J/mol×K	778.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentafluorobenzoic acid, 3-chloroprop-2-enyl ester.

Sources

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

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