Chemical Properties of chlorfenethol, TFA

InChI

InChI=1S/C16H11Cl2F3O2/c1-15(23-14(22)16(19,20)21,10-2-6-12(17)7-3-10)11-4-8-13(18)9-5-11/h2-9H,1H3

InChI Key

DGCXBBRJRFHPCX-UHFFFAOYSA-N

Formula

C16H11Cl2F3O2

SMILES

CC(OC(=O)C(F)(F)F)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

363.16

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5793		Relay (... Calculated Property
ΔfG°	-547.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-867.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	30.09	kJ/mol	Joback Calculated Property
ΔvapH°	93.41	kJ/mol	Relay (... Calculated Property
IE	8.97	eV	Relay (... Calculated Property
log10WS	-5.51		Relay (... Calculated Property
logPoct/wat	5.362		Crippen Calculated Property
McVol	226.010	ml/mol	McGowan Calculated Property
Pc	1980.59	kPa	Joback Calculated Property
Inp	[1850.00; 1898.00]
Inp	1898.00		NIST
Inp	1850.00		NIST
Inp	1850.00		NIST
Tboil	577.79	K	Relay (... Calculated Property
Tc	808.21	K	Relay (... Calculated Property
Tfus	316.34	K	Relay (... Calculated Property
Vc	0.786	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.08; 650.88]	J/mol×K	[771.30; 1005.56]
Cp,gas	594.08	J/mol×K	771.30	Joback Calculated Property
Cp,gas	605.95	J/mol×K	810.34	Joback Calculated Property
Cp,gas	616.71	J/mol×K	849.39	Joback Calculated Property
Cp,gas	626.49	J/mol×K	888.43	Joback Calculated Property
Cp,gas	635.37	J/mol×K	927.48	Joback Calculated Property
Cp,gas	643.46	J/mol×K	966.52	Joback Calculated Property
Cp,gas	650.88	J/mol×K	1005.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to chlorfenethol, TFA.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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