Chemical Properties of Hydroquinone, tetrachloro- (CAS 87-87-6)

InChI

InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

InChI Key

STOSPPMGXZPHKP-UHFFFAOYSA-N

Formula

C6H2Cl4O2

SMILES

Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl

Molecular Weight¹

247.89

CAS

87-87-6

Other Names

• 1,4-Benzenediol, 2,3,5,6-tetrachloro-
• 2,3,5,6-Tetrachloro-1,4-benzenediol
• 2,3,5,6-Tetrachlorobenzene-1,4-diol
• 2,3,5,6-Tetrachlorohydroquinone
• Dihydro-p-chloranil
• NSC 100888
• Nordrosophilin A
• Perchlorohydroquinone
• Tetrachloro-1,4-benzenediol
• Tetrachloro-p-benzohydroquinone
• Tetrachloro-p-hydroquinone
• Tetrachlorobenzoquinol
• Tetrachlorohydroquinone
• USAF DO-62

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• 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).
• 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	0.6753		Relay (1.0) Calculated Property
ΔcH°solid	[-2355.00; -2277.00]	kJ/mol
ΔcH°solid	-2287.80 ± 8.40	kJ/mol	NIST
ΔcH°solid	-2277.00	kJ/mol	NIST
ΔcH°solid	-2355.00	kJ/mol	NIST
ΔfH°gas	-323.22	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-463.20	kJ/mol	NIST
ΔfusH°	32.52	kJ/mol	Joback Calculated Property
ΔsubH°	88.70	kJ/mol	NIST
ΔvapH°	89.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.30 ± 0.05	eV	NIST
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	3.711		Crippen Calculated Property
McVol	132.340	ml/mol	McGowan Calculated Property
Pc	5422.51	kPa	Joback Calculated Property
Tboil	512.62	K	Relay (1.0) Calculated Property
Tc	888.25	K	Relay (1.0) Calculated Property
Tfus	471.15	K	Relay (1.0) Calculated Property
Vc	0.462	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	[88.70; 89.00]	kJ/mol	[328.50; 344.50]
ΔsubH	89.00	kJ/mol	328.50	NIST
ΔsubH	88.70	kJ/mol	344.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.55; 279.15]	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			4.01500e+01
Coefficient B			6.52800e-01
Coefficient C			-7.27000e-04
Coefficient D			3.13200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.55	J/mol×K	273.00	Calculated Property
Cp,gas	193.97	J/mol×K	353.78	Calculated Property
Cp,gas	212.24	J/mol×K	434.56	Calculated Property
Cp,gas	226.35	J/mol×K	515.33	Calculated Property
Cp,gas	237.30	J/mol×K	596.11	Calculated Property
Cp,gas	246.06	J/mol×K	676.89	Calculated Property
Cp,gas	253.64	J/mol×K	757.67	Calculated Property
Cp,gas	261.02	J/mol×K	838.44	Calculated Property
Cp,gas	269.19	J/mol×K	919.22	Calculated Property
Cp,gas	279.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000238; 0.0000040]	Pa×s	[564.48; 667.77]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.21010e+01
Coefficient B			6.46588e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			564.48
Temperature range, max.			667.77
η	0.0000238	Pa×s	564.48	Calculated Property
η	0.0000189	Pa×s	575.96	Calculated Property
η	0.0000152	Pa×s	587.43	Calculated Property
η	0.0000123	Pa×s	598.91	Calculated Property
η	0.0000101	Pa×s	610.38	Calculated Property
η	0.0000083	Pa×s	621.86	Calculated Property
η	0.0000068	Pa×s	633.34	Calculated Property
η	0.0000057	Pa×s	644.81	Calculated Property
η	0.0000048	Pa×s	656.29	Calculated Property
η	0.0000040	Pa×s	667.77	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[512.11; 648.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.41839e+01
Coefficient B			-1.22375e+04
Coefficient C			0.00000e+00
Temperature range, min.			512.11
Temperature range, max.			648.43
Pvap	1.33	kPa	512.11	Calculated Property
Pvap	2.65	kPa	527.26	Calculated Property
Pvap	5.06	kPa	542.40	Calculated Property
Pvap	9.35	kPa	557.55	Calculated Property
Pvap	16.70	kPa	572.70	Calculated Property
Pvap	28.97	kPa	587.84	Calculated Property
Pvap	48.87	kPa	602.99	Calculated Property
Pvap	80.36	kPa	618.14	Calculated Property
Pvap	129.02	kPa	633.28	Calculated Property
Pvap	202.63	kPa	648.43	Calculated Property

Similar Compounds

Find more compounds similar to Hydroquinone, tetrachloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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