Chemical Properties of p-Benzoquinone, 2,3,5,6-tetrafluoro- (CAS 527-21-9)

InChI

InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

InChI Key

JKLYZOGJWVAIQS-UHFFFAOYSA-N

Formula

C6F4O2

SMILES

O=C1C(F)=C(F)C(=O)C(F)=C1F

Molecular Weight¹

180.06

CAS

527-21-9

Other Names

• p-Fluoranil
• 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrafluoro-
• Fluoranil
• Fluoroanil
• Tetrafluoro-p-benzoquinone
• Tetrafluoro-1,4-benzoquinone
• Tetrafluoroquinone
• 2,3,5,6-Tetrafluoro-p-benzoquinone
• Perfluoro-p-benzoquinone
• p-Benzoquinone, tetrafluoro-
• 2,3,5,6-Tetrafluoro-1,4-benzoquinone
• Tetrafluorobenzoquinone
• NSC 264881
• Tetrafluoro-p-quinone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• 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
EA	[2.27; 2.92]	eV
EA	2.70 ± 0.10	eV	NIST
EA	2.45 ± 0.05	eV	NIST
EA	2.92 ± 0.20	eV	NIST
EA	2.27	eV	NIST
ΔfG°	-971.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1082.67	kJ/mol	Joback Calculated Property
ΔfusH°	14.29	kJ/mol	Joback Calculated Property
ΔvapH°	38.15	kJ/mol	Joback Calculated Property
IE	[10.70; 10.96]	eV
IE	10.70	eV	NIST
IE	10.96 ± 0.05	eV	NIST
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	1.439		Crippen Calculated Property
McVol	86.160	ml/mol	McGowan Calculated Property
Pc	3655.35	kPa	Joback Calculated Property
Tboil	511.86	K	Joback Calculated Property
Tc	719.14	K	Joback Calculated Property
Tfus	359.40	K	Joback Calculated Property
Vc	0.363	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.54; 225.62]	J/mol×K	[511.86; 719.14]
Cp,gas	184.54	J/mol×K	511.86	Joback Calculated Property
Cp,gas	191.82	J/mol×K	546.41	Joback Calculated Property
Cp,gas	198.99	J/mol×K	580.95	Joback Calculated Property
Cp,gas	206.01	J/mol×K	615.50	Joback Calculated Property
Cp,gas	212.82	J/mol×K	650.05	Joback Calculated Property
Cp,gas	219.37	J/mol×K	684.59	Joback Calculated Property
Cp,gas	225.62	J/mol×K	719.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Benzoquinone, 2,3,5,6-tetrafluoro-.

Sources

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

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