Chemical Properties of Benzoic acid, 3-(pentafluoropropionyloxy)-

InChI

InChI=1S/C10H5F5O4/c11-9(12,10(13,14)15)8(18)19-6-3-1-2-5(4-6)7(16)17/h1-4H,(H,16,17)

InChI Key

YMSPVHHCPYGTAH-UHFFFAOYSA-N

Formula

C10H5F5O4

SMILES

O=C(O)c1cccc(OC(=O)C(F)(F)C(F)(F)F)c1

Molecular Weight¹

284.14

• 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°	-1331.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1532.33	kJ/mol	Joback Calculated Property
ΔfusH°	24.35	kJ/mol	Joback Calculated Property
ΔvapH°	66.70	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	151.730	ml/mol	McGowan Calculated Property
Pc	2928.17	kPa	Joback Calculated Property
Inp	[1332.00; 1332.00]
Inp	1332.00		NIST
Inp	1332.00		NIST
Tboil	672.09	K	Joback Calculated Property
Tc	858.93	K	Joback Calculated Property
Tfus	432.10	K	Joback Calculated Property
Vc	0.605	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[408.90; 448.49]	J/mol×K	[672.09; 858.93]
Cp,gas	408.90	J/mol×K	672.09	Joback Calculated Property
Cp,gas	416.99	J/mol×K	703.23	Joback Calculated Property
Cp,gas	424.43	J/mol×K	734.37	Joback Calculated Property
Cp,gas	431.26	J/mol×K	765.51	Joback Calculated Property
Cp,gas	437.52	J/mol×K	796.65	Joback Calculated Property
Cp,gas	443.25	J/mol×K	827.79	Joback Calculated Property
Cp,gas	448.49	J/mol×K	858.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-(pentafluoropropionyloxy)-.

Sources

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

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