Chemical Properties of Pentachlorophenol, O-trifluoroacetyl-

InChI

InChI=1S/C8Cl5F3O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16

InChI Key

QACUOWCDCMROJT-UHFFFAOYSA-N

Formula

C8Cl5F3O2

SMILES

O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(F)(F)F

Molecular Weight¹

362.35

• 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	0.5845		Relay (1.0) Calculated Property
ΔfG°	-794.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-930.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.17	kJ/mol	Joback Calculated Property
ΔvapH°	79.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	5.421		Crippen Calculated Property
McVol	173.770	ml/mol	McGowan Calculated Property
Pc	2537.93	kPa	Joback Calculated Property
Inp	[1560.00; 1560.00]
Inp	1560.00		NIST
Inp	1560.00		NIST
Tboil	538.73	K	Relay (1.0) Calculated Property
Tc	778.14	K	Relay (1.0) Calculated Property
Tfus	391.23	K	Relay (1.0) Calculated Property
Vc	0.622	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.56; 364.39]	J/mol×K	[692.04; 917.09]
Cp,gas	338.56	J/mol×K	692.04	Joback Calculated Property
Cp,gas	344.08	J/mol×K	729.55	Joback Calculated Property
Cp,gas	349.09	J/mol×K	767.06	Joback Calculated Property
Cp,gas	353.60	J/mol×K	804.56	Joback Calculated Property
Cp,gas	357.65	J/mol×K	842.07	Joback Calculated Property
Cp,gas	361.24	J/mol×K	879.58	Joback Calculated Property
Cp,gas	364.39	J/mol×K	917.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentachlorophenol, O-trifluoroacetyl-.

Sources

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

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