Chemical Properties of p-Benzoquinone, 2,3,5,6-tetrachloro- (CAS 118-75-2)

InChI

InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

InChI Key

UGNWTBMOAKPKBL-UHFFFAOYSA-N

Formula

C6Cl4O2

SMILES

O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl

Molecular Weight¹

245.88

CAS

118-75-2

Other Names

• .alpha.-chloranil
• 1,2,4,5-tetrachlorobenzoquinone
• 1,4-Benzoquinone, 2,3,5,6-tetrachloro-
• 1,4-benzoquinone, tetrachloro-
• 2,3,5,6-Tetrachloro-1,4-benzoquinone
• 2,3,5,6-Tetrachloro-2,5-cyclohexadiene-1,4-dione
• 2,3,5,6-Tetrachloro-p-benzoquinone
• 2,3,5,6-Tetrachlorobenzoquinone
• 2,3,5,6-Tetrachloroquinone
• 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrachloro-
• Chloranil
• Coversan
• Dow Seed Disinfectant No. 5
• ENT 3,797
• ENT 3797
• G-25804
• G-444E
• Geigy-444e
• Khloranil
• NSC 8432
• Psorisan
• Quinone Tetrachloride
• Reranil
• Spergon
• Spergon I
• Spergon Technical
• Tetrachloro-1,4-benzoquinone
• Tetrachloro-p-benzoquinone
• Tetrachloro-p-quinone
• Tetrachlorobenzoquinone
• Tetrachloroparabenzoquinone
• Tetrachloroquinone
• Tetrachlorquinone
• Vulklor
• p-Chloranil
• «alpha»-Chloranil
• «alpha»-Chloranil

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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	0.4470		Relay (1.0) Calculated Property
ΔcH°solid	[-2171.10; -2156.00]	kJ/mol
ΔcH°solid	-2171.10 ± 8.40	kJ/mol	NIST
ΔcH°solid	-2156.00	kJ/mol	NIST
ΔcH°solid	-2166.00	kJ/mol	NIST
EA	[2.45; 2.78]	eV
EA	2.78 ± 0.10	eV	NIST
EA	2.75 ± 0.05	eV	NIST
EA	2.76 ± 0.20	eV	NIST
EA	2.45 ± 0.26	eV	NIST
ΔfG°	-239.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-184.63	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-298.00	kJ/mol	NIST
ΔfusH°	18.76	kJ/mol	Joback Calculated Property
ΔsubH°	98.74	kJ/mol	NIST
ΔvapH°	70.35	kJ/mol	Relay (1.0) Calculated Property
IE	[9.74; 9.90]	eV
IE	9.74	eV	NIST
IE	9.90 ± 0.05	eV	NIST
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	2.517		Crippen Calculated Property
McVol	128.040	ml/mol	McGowan Calculated Property
Pc	3801.00	kPa	Joback Calculated Property
S°solid,1 bar	258.40	J/mol×K	NIST
Tboil	511.59	K	Relay (1.0) Calculated Property
Tc	802.68	K	Relay (1.0) Calculated Property
Tfus	568.13 ± 0.20	K	NIST
Vc	0.438	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.43; 260.45]	J/mol×K	[664.50; 935.65]
Cp,gas	226.43	J/mol×K	664.50	Joback Calculated Property
Cp,gas	233.75	J/mol×K	709.69	Joback Calculated Property
Cp,gas	240.55	J/mol×K	754.88	Joback Calculated Property
Cp,gas	246.72	J/mol×K	800.07	Joback Calculated Property
Cp,gas	252.16	J/mol×K	845.26	Joback Calculated Property
Cp,gas	256.77	J/mol×K	890.46	Joback Calculated Property
Cp,gas	260.45	J/mol×K	935.65	Joback Calculated Property
Cp,solid	193.80	J/mol×K	298.15	NIST
ΔfusH	[30.87; 30.87]	kJ/mol	[567.20; 567.20]
ΔfusH	30.87	kJ/mol	567.20	NIST
ΔfusH	30.87	kJ/mol	567.20	NIST
ΔsubH	98.70 ± 8.30	kJ/mol	344.50	NIST
ΔvapH	88.50	kJ/mol	389.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[467.45; 582.32]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.57544e+01
Coefficient B			-1.19044e+04
Temperature range, min.			467.45
Temperature range, max.			582.32
Pvap	1.33	kPa	467.45	Calculated Property
Pvap	2.62	kPa	480.21	Calculated Property
Pvap	4.99	kPa	492.98	Calculated Property
Pvap	9.17	kPa	505.74	Calculated Property
Pvap	16.37	kPa	518.50	Calculated Property
Pvap	28.41	kPa	531.27	Calculated Property
Pvap	48.07	kPa	544.03	Calculated Property
Pvap	79.38	kPa	556.79	Calculated Property
Pvap	128.16	kPa	569.56	Calculated Property
Pvap	202.64	kPa	582.32	Calculated Property

Similar Compounds

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

Mixtures

• p-Benzoquinone, 2,3,5,6-tetrachloro- + Dimethyl Sulfoxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Spectroscopic and ultrasonic studies on the molecular interaction of certain aromatic amines with p-chloranil
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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