Chemical Properties of 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C13H7F11O2/c14-9(15)11(18,19)13(23,24)10(16,17)5-26-8(25)6-2-1-3-7(4-6)12(20,21)22/h1-4,9H,5H2

InChI Key

ZXDORYUOULXMLE-UHFFFAOYSA-N

Formula

C13H7F11O2

SMILES

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

Molecular Weight¹

404.18

• 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°	-2206.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-2528.88	kJ/mol	Joback Calculated Property
ΔfusH°	26.57	kJ/mol	Joback Calculated Property
ΔvapH°	42.07	kJ/mol	Joback Calculated Property
log10WS	-5.75		Crippen Calculated Property
logPoct/wat	5.033		Crippen Calculated Property
McVol	197.180	ml/mol	McGowan Calculated Property
Pc	1580.97	kPa	Joback Calculated Property
Inp	[1268.00; 1268.00]
Inp	1268.00		NIST
Inp	1268.00		NIST
Tboil	583.40	K	Joback Calculated Property
Tc	744.47	K	Joback Calculated Property
Tfus	348.54	K	Joback Calculated Property
Vc	0.828	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.79; 606.06]	J/mol×K	[583.40; 744.47]
Cp,gas	545.79	J/mol×K	583.40	Joback Calculated Property
Cp,gas	557.84	J/mol×K	610.24	Joback Calculated Property
Cp,gas	569.03	J/mol×K	637.09	Joback Calculated Property
Cp,gas	579.39	J/mol×K	663.93	Joback Calculated Property
Cp,gas	588.98	J/mol×K	690.78	Joback Calculated Property
Cp,gas	597.86	J/mol×K	717.62	Joback Calculated Property
Cp,gas	606.06	J/mol×K	744.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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