Chemical Properties of 3-Fluorobenzoic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C9H6Cl3FO2/c10-9(11,12)5-15-8(14)6-2-1-3-7(13)4-6/h1-4H,5H2

InChI Key

SCVBNVMGLBENQO-UHFFFAOYSA-N

Formula

C9H6Cl3FO2

SMILES

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

Molecular Weight¹

271.50

• 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°	-334.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.91	kJ/mol	Joback Calculated Property
ΔfusH°	23.76	kJ/mol	Joback Calculated Property
ΔvapH°	58.76	kJ/mol	Joback Calculated Property
log10WS	-4.03		Crippen Calculated Property
logPoct/wat	3.353		Crippen Calculated Property
McVol	159.840	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Inp	[1571.00; 1571.00]
Inp	1571.00		NIST
Inp	1571.00		NIST
Tboil	621.60	K	Joback Calculated Property
Tc	853.91	K	Joback Calculated Property
Tfus	395.06	K	Joback Calculated Property
Vc	0.610	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.14; 385.06]	J/mol×K	[621.60; 853.91]
Cp,gas	338.14	J/mol×K	621.60	Joback Calculated Property
Cp,gas	347.88	J/mol×K	660.32	Joback Calculated Property
Cp,gas	356.79	J/mol×K	699.04	Joback Calculated Property
Cp,gas	364.92	J/mol×K	737.76	Joback Calculated Property
Cp,gas	372.31	J/mol×K	776.48	Joback Calculated Property
Cp,gas	379.00	J/mol×K	815.19	Joback Calculated Property
Cp,gas	385.06	J/mol×K	853.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic acid, 2,2,2-trichloroethyl ester.

Sources

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

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