Chemical Properties of Benzoic acid, 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C11H8F6O2/c12-9(11(15,16)17)10(13,14)6-19-8(18)7-4-2-1-3-5-7/h1-5,9H,6H2

InChI Key

ZIDIPWJNDUQITP-UHFFFAOYSA-N

Formula

C11H8F6O2

SMILES

O=C(OCC(F)(F)C(F)C(F)(F)F)c1ccccc1

Molecular Weight¹

286.17

• 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°	-1245.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1478.08	kJ/mol	Joback Calculated Property
ΔfusH°	21.20	kJ/mol	Joback Calculated Property
ΔvapH°	43.63	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen Calculated Property
logPoct/wat	3.379		Crippen Calculated Property
McVol	160.150	ml/mol	McGowan Calculated Property
Pc	2222.89	kPa	Joback Calculated Property
Inp	[1232.00; 1232.00]
Inp	1232.00		NIST
Inp	1232.00		NIST
Tboil	542.77	K	Joback Calculated Property
Tc	723.01	K	Joback Calculated Property
Tfus	305.69	K	Joback Calculated Property
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.77; 466.44]	J/mol×K	[542.77; 723.01]
Cp,gas	402.77	J/mol×K	542.77	Joback Calculated Property
Cp,gas	415.39	J/mol×K	572.81	Joback Calculated Property
Cp,gas	427.16	J/mol×K	602.85	Joback Calculated Property
Cp,gas	438.10	J/mol×K	632.89	Joback Calculated Property
Cp,gas	448.27	J/mol×K	662.93	Joback Calculated Property
Cp,gas	457.70	J/mol×K	692.97	Joback Calculated Property
Cp,gas	466.44	J/mol×K	723.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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