Chemical Properties of 2,2,2,4'-Tetrafluoroacetophenone

InChI

InChI=1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

InChI Key

LUKLMXJAEKXROG-UHFFFAOYSA-N

Formula

C8H4F4O

SMILES

O=C(c1ccc(F)cc1)C(F)(F)F

Molecular Weight¹

192.11

Other Names

• 2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-one
• Acetophenone, 2,2,2,4'-tetrafluoro

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3742		Relay (1.0) Calculated Property
ΔfG°	-786.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-911.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.63	kJ/mol	Joback Calculated Property
ΔvapH°	51.05	kJ/mol	Relay (1.0) Calculated Property
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	-2.10		Relay (1.0) Calculated Property
logPoct/wat	2.571		Crippen Calculated Property
McVol	108.470	ml/mol	McGowan Calculated Property
Pc	3199.16	kPa	Joback Calculated Property
Inp	[852.00; 852.00]
Inp	852.00		NIST
Inp	852.00		NIST
Tboil	431.97	K	Relay (1.0) Calculated Property
Tc	601.25	K	Relay (1.0) Calculated Property
Tfus	254.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.75; 329.26]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.67400e+01
Coefficient B			7.70400e-01
Coefficient C			-5.94260e-04
Coefficient D			1.69860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.75	J/mol×K	273.00	Calculated Property
Cp,gas	188.95	J/mol×K	353.78	Calculated Property
Cp,gas	219.76	J/mol×K	434.56	Calculated Property
Cp,gas	245.70	J/mol×K	515.33	Calculated Property
Cp,gas	267.32	J/mol×K	596.11	Calculated Property
Cp,gas	285.14	J/mol×K	676.89	Calculated Property
Cp,gas	299.71	J/mol×K	757.67	Calculated Property
Cp,gas	311.56	J/mol×K	838.44	Calculated Property
Cp,gas	321.23	J/mol×K	919.22	Calculated Property
Cp,gas	329.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2,4'-Tetrafluoroacetophenone.

Sources

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

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