Chemical Properties of Hydroquinone (CAS 123-31-9)

InChI

InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H

InChI Key

QIGBRXMKCJKVMJ-UHFFFAOYSA-N

Formula

C6H6O2

SMILES

Oc1ccc(O)cc1

Molecular Weight¹

110.11

CAS

123-31-9

Other Names

• 1,4-Benzenediol (hydroquinone)
• 1,4-Dihydroxy-benzeen
• 1,4-Dihydroxy-benzol
• 1,4-Dihydroxybenzen
• 1,4-Diidrobenzene
• 1,4-benzenediol
• 1,4-dihydroxybenzene
• 4-Hydroxyphenol
• Aida
• Arctuvin
• Benzene, p-dihydroxy-
• Black & White Bleaching Cream
• Black and White Bleaching Cream
• Derma-Blanch
• Diak 5
• Dihydroquinone
• Eldopacque
• Eldopaque
• Eldopaque forte
• Eldoquin
• Eldoquin forte
• HE 5
• Hidroquinone
• Hydrochinon
• Hydrochinone
• Hydroquinol
• Hydroquinole
• Idrochinone
• NCI-C55834
• Phiaquin
• Quinol
• Solaquin forte
• Tecquinol
• Tenox HQ
• Tequinol
• UN 2662
• USAF EK-356
• benzohydroquinone
• benzoquinol
• p-Dihydroquinone
• p-Dioxobenzene
• p-Hydroquinone
• p-benzenediol
• p-dihydroxybenzene
• p-dioxybenzene
• p-hydroxyphenol
• p-quinol

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• 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).
• η : Dynamic viscosity (Pa×s).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• pKa : Log10 of Acid Dissociation Constant.
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• ρ_s : Solid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5944		Relay (1.0) Calculated Property
Tig	789.15	K	NCMS SOLV-DB
ΔcH°solid	[-2865.00; -2824.68]	kJ/mol
ΔcH°solid	-2847.50 ± 1.20	kJ/mol	NIST
ΔcH°solid	Outlier -2824.68	kJ/mol	NIST
ΔcH°solid	-2852.40 ± 0.88	kJ/mol	NIST
ΔcH°solid	-2855.60	kJ/mol	NIST
ΔcH°solid	-2858.00	kJ/mol	NIST
ΔcH°solid	-2865.00	kJ/mol	NIST
ΔcH°solid	-2856.00	kJ/mol	NIST
ΔcH°solid	-2861.00	kJ/mol	NIST
Tflash,cc	438.15	K	NCMS SOLV-DB
ΔfG°	-187.56	kJ/mol	Joback Calculated Property
ΔfH°gas	[-277.00; -266.90]	kJ/mol
ΔfH°gas	-277.00 ± 1.40	kJ/mol	NIST
ΔfH°gas	-272.00	kJ/mol	NIST
ΔfH°gas	-268.90	kJ/mol	NIST
ΔfH°gas	-266.90	kJ/mol	NIST
ΔfH°gas	-268.40	kJ/mol	NIST
ΔfH°solid	[-371.10; -361.00]	kJ/mol
ΔfH°solid	-371.10 ± 1.30	kJ/mol	NIST
ΔfH°solid	-366.10 ± 1.20	kJ/mol	NIST
ΔfH°solid	-363.00 ± 1.00	kJ/mol	NIST
ΔfH°solid	-361.00	kJ/mol	NIST
ΔfH°solid	-362.50	kJ/mol	NIST
ΔfusH°	[23.78; 27.23]	kJ/mol
ΔfusH°	27.23	kJ/mol	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
ΔfusH°	23.78	kJ/mol	Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
ΔsubH°	[94.10; 103.76]	kJ/mol
ΔsubH°	94.13 ± 0.53	kJ/mol	NIST
ΔsubH°	94.10	kJ/mol	NIST
ΔsubH°	94.10 ± 0.50	kJ/mol	NIST
ΔsubH°	99.20 ± 1.70	kJ/mol	NIST
ΔsubH°	Outlier 103.76	kJ/mol	NIST
ΔsubH°	94.13 ± 0.53	kJ/mol	NIST
ΔsubH°	94.10	kJ/mol	NIST
ΔsubH°	94.10 ± 0.50	kJ/mol	NIST
ΔvapH°	84.40 ± 0.70	kJ/mol	NIST
IE	[7.93; 8.44]	eV
IE	7.94 ± 0.01	eV	NIST
IE	7.93 ± 0.01	eV	NIST
IE	7.95 ± 0.05	eV	NIST
IE	7.95 ± 0.03	eV	NIST
IE	8.44	eV	NIST
log10WS	[-0.17; -0.17]
log10WS	-0.17		Aq. Solubility Prediction
log10WS	-0.17		Estimated Solubility
logPoct/wat	0.590		NCMS SOLV-DB
McVol	83.380	ml/mol	McGowan Calculated Property
NFPA Fire	1		NCMS SOLV-DB
NFPA Health	2		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	7561.44	kPa	Joback Calculated Property
pKa	10.85		NCMS SOLV-DB
Inp	[207.49; 1334.00]
Inp	1327.00		NIST
Inp	1334.00		NIST
Inp	1241.00		NIST
Inp	1334.00		NIST
Inp	220.60		NIST
Inp	207.49		NIST
Inp	1327.00		NIST
Inp	1334.00		NIST
Inp	1241.00		NIST
Inp	220.60		NIST
I	[2693.00; 2693.00]
I	2693.00		NIST
I	2693.00		NIST
I	2693.00		NIST
S°gas	343.10 ± 5.00	J/mol×K	NIST
Tboil	[558.15; 558.20]	K
Tboil	558.15	K	NCMS SOLV-DB
Tboil	558.20	K	NIST
Tboil	558.20 ± 1.00	K	NIST
Tc	751.62	K	Relay (1.0) Calculated Property
Tfus	[443.50; 446.65]	K
Tfus	445.15	K	Liquid pharmaceuticals formulation by eutectic formation
Tfus	445.00	K	Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data
Tfus	445.35	K	Aq. Solubility Prediction
Tfus	446.65	K	NCMS SOLV-DB
Tfus	445.00 ± 0.60	K	NIST
Tfus	445.00	K	NIST
Tfus	443.50 ± 0.30	K	NIST
Tfus	445.00 ± 0.60	K	NIST
Ttriple	[445.50; 445.98]	K
Ttriple	445.98 ± 0.03	K	NIST
Ttriple	445.50 ± 0.30	K	NIST
Ttriple	445.98 ± 0.03	K	NIST
Ttriple	445.50 ± 0.30	K	NIST
Vc	0.252	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[130.50; 150.20]	J/mol×K	[274.30; 323.00]
Cp,solid	130.50	J/mol×K	274.30	NIST
Cp,solid	133.50	J/mol×K	297.90	NIST
Cp,solid	139.70	J/mol×K	298.00	NIST
Cp,solid	131.90	J/mol×K	298.15	NIST
Cp,solid	136.40	J/mol×K	298.15	NIST
Cp,solid	150.20	J/mol×K	323.00	NIST
ΔfusH	[26.48; 27.23]	kJ/mol	[444.95; 453.00]
ΔfusH	26.50	kJ/mol	444.95	NIST
ΔfusH	26.50	kJ/mol	444.95	NIST
ΔfusH	27.23	kJ/mol	445.10	NIST
ΔfusH	27.11	kJ/mol	445.10	NIST
ΔfusH	27.11	kJ/mol	445.10	NIST
ΔfusH	27.11	kJ/mol	445.50	NIST
ΔfusH	27.11	kJ/mol	445.50	NIST
ΔfusH	26.48	kJ/mol	453.00	NIST
ΔfusH	26.48	kJ/mol	453.00	NIST
ΔsubH	[93.70; 104.00]	kJ/mol	[322.00; 370.50]
ΔsubH	103.80	kJ/mol	322.00	NIST
ΔsubH	100.60 ± 1.30	kJ/mol	332.00	NIST
ΔsubH	93.70 ± 0.50	kJ/mol	334.00	NIST
ΔsubH	93.70 ± 0.50	kJ/mol	334.00	NIST
ΔsubH	103.80	kJ/mol	335.50	NIST
ΔsubH	104.00 ± 1.00	kJ/mol	342.00	NIST
ΔsubH	99.00 ± 2.00	kJ/mol	351.00	NIST
ΔsubH	101.30	kJ/mol	370.50	NIST
ΔvapH	70.50	kJ/mol	503.50	NIST
Psub	[5.13e-05; 3.53e-04]	kPa	[322.80; 339.40]
Psub	5.56e-05	kPa	322.80	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	5.45e-05	kPa	322.80	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	5.13e-05	kPa	322.80	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	6.59e-05	kPa	324.80	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	7.43e-05	kPa	324.90	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	6.93e-05	kPa	324.90	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	9.44e-05	kPa	326.90	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	8.72e-05	kPa	326.90	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	8.46e-05	kPa	326.90	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.13e-04	kPa	328.90	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.09e-04	kPa	329.00	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.05e-04	kPa	329.00	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.38e-04	kPa	331.00	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.38e-04	kPa	331.00	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.42e-04	kPa	331.10	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.77e-04	kPa	333.10	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.72e-04	kPa	333.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	1.69e-04	kPa	333.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.32e-04	kPa	335.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.17e-04	kPa	335.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.12e-04	kPa	335.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.62e-04	kPa	337.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.75e-04	kPa	337.30	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.64e-04	kPa	337.30	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	3.53e-04	kPa	339.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	3.40e-04	kPa	339.40	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	3.33e-04	kPa	339.40	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Pvap	1.33e-06	kPa	293.15	NCMS SOLV-DB
ρl	1328.00	kg/m3	293.15	Measurements of Liquid Liquid Equilibria for the Quaternary System 2-Methoxy-2-methylpropane + Phenol + Hydroquinone + Water at 313.15 K
ρs	[1332.00; 1338.00]	kg/m3	[293.20; 298.15]
ρs	1332.00	kg/m3	293.20	Ternary and Quaternary Liquid-Liquid Equilibria for Systems of Methyl Butyl Ketone + Water + Hydroquinone + Phenol at 313.2 K and Atmospheric Pressure
ρs	1338.00	kg/m3	298.15	Liquid liquid equilibria for the quaternary system methyl isobutyl ketone water phenol hydroquinone
ΔfusS	[59.00; 60.90]	J/mol×K	[444.95; 445.50]
ΔfusS	59.00	J/mol×K	444.95	NIST
ΔfusS	59.00	J/mol×K	444.95	NIST
ΔfusS	60.90	J/mol×K	445.50	NIST
ΔfusS	60.90	J/mol×K	445.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[558.00; 558.20]	K	[97.30; 97.30]
Tboilr	558.20	K	97.30	NIST
Tboilr	558.00	K	97.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[106.73; 258.23]	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			-6.86100e+01
Coefficient B			8.63600e-01
Coefficient C			-9.13560e-04
Coefficient D			3.76800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	106.73	J/mol×K	273.00	Calculated Property
Cp,gas	139.26	J/mol×K	353.78	Calculated Property
Cp,gas	165.08	J/mol×K	434.56	Calculated Property
Cp,gas	185.39	J/mol×K	515.33	Calculated Property
Cp,gas	201.38	J/mol×K	596.11	Calculated Property
Cp,gas	214.24	J/mol×K	676.89	Calculated Property
Cp,gas	225.16	J/mol×K	757.67	Calculated Property
Cp,gas	235.34	J/mol×K	838.44	Calculated Property
Cp,gas	245.97	J/mol×K	919.22	Calculated Property
Cp,gas	258.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001727; 0.0000173]	Pa×s	[445.08; 537.00]	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			-2.21125e+01
Coefficient B			5.98564e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			445.08
Temperature range, max.			537.00
η	0.0001727	Pa×s	445.08	Calculated Property
η	0.0001277	Pa×s	455.29	Calculated Property
η	0.0000957	Pa×s	465.51	Calculated Property
η	0.0000726	Pa×s	475.72	Calculated Property
η	0.0000557	Pa×s	485.93	Calculated Property
η	0.0000433	Pa×s	496.15	Calculated Property
η	0.0000339	Pa×s	506.36	Calculated Property
η	0.0000268	Pa×s	516.58	Calculated Property
η	0.0000214	Pa×s	526.79	Calculated Property
η	0.0000173	Pa×s	537.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.29; 103.16]	kPa	[432.30; 559.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.81782e+01
Coefficient B			-7.02169e+03
Coefficient C			-4.04850e+01
Reference			von Terres, Gebert, et al., 1955
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			432.30
Temperature range, max.			559.00
Pvap	1.29	kPa	432.30	Calculated Property
Pvap	2.41	kPa	446.38	Calculated Property
Pvap	4.30	kPa	460.46	Calculated Property
Pvap	7.40	kPa	474.53	Calculated Property
Pvap	12.30	kPa	488.61	Calculated Property
Pvap	19.82	kPa	502.69	Calculated Property
Pvap	31.05	kPa	516.77	Calculated Property
Pvap	47.41	kPa	530.84	Calculated Property
Pvap	70.69	kPa	544.92	Calculated Property
Pvap	103.16	kPa	559.00	Calculated Property

Similar Compounds

Find more compounds similar to Hydroquinone.

Mixtures

• Choline chloride + Hydroquinone
• 2-Butanone, 3-methyl- + Hydroquinone + Water
• Hydroquinone + Water
• Methyl Isobutyl Ketone + Hydroquinone + Water
• 2-Hexanone + Hydroquinone + Water
• 2-Octanone + Hydroquinone + Water
• Hydroquinone + Propane, 2-methoxy-2-methyl- + Water
• Hydroquinone + Ethyl Acetate
• Hydroquinone + Acetic acid, butyl ester
• Hydroquinone + Acetic acid
• Hydroquinone + Methyl Alcohol
• Ethanol + Hydroquinone
• 2-Propanol + Hydroquinone
• 2-Pentanone + Hydroquinone + Water
• Hydroquinone + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane

Sources

• Cheméo Relay (1.0)
• Liquid liquid equilibria for the quaternary system methyl isobutyl ketone water phenol hydroquinone
• Ternary liquid-liquid equilibria for methyl isopropyl ketone + (resorcinol or hydroquinone) + water systems at different temperatures
• Liquid-liquid equilibrium for ternary systems, methyl isobutyl ketone +(catechol, resorcinol and hydroquinone) + water at 333.15 K, 343.15 K and 353.15 K
• Liquid pharmaceuticals formulation by eutectic formation
• Heat capacities of aqueous polar aromatic compounds over a wide range of conditions. Part II: dihydroxybenzenes, aminophenols, diaminobenzenes
• Effects of structural isomerism on solution behaviour of solutes: Apparent molar volumes and isentropic compression of catechol, resorcinal, and hydroquinone in aqueous solution at T = (283.15, 293.15, 298.15, 303.15, and 313.15) K
• Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data
• Experimental result and data correlation of liquid-liquid equilibrium for methyl isopropyl ketone + o, m, p-dihydroxybenzene + water at 333.15 K, 343.15 K and 353.15 K
• Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
• Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
• Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine
• Ternary and Quaternary Liquid-Liquid Equilibria for Systems of Methyl Butyl Ketone + Water + Hydroquinone + Phenol at 313.2 K and Atmospheric Pressure
• Solubility of 3,7,9,11-Tetraoxo-2,4,6,8,10-pentaaza[3.3.3] Propellane (TOPAP) in Different Pure Solvents at Temperatures between 273.15 and 318.15 K
• Liquid-Liquid Equilibria for Ternary (Methyl Propyl Ketone + Hydroquinone or Resorcinol + Water) Systems at 298.15, 318.15, and 333.15 K
• Liquid Liquid Equilibria for Octan-2-one + Dihydroxybenzene + Water at Different Temperatures: Experimental Data and Thermodynamic Modeling
• Measurements and Thermodynamic Modeling of Liquid-Liquid Equilibria Data for the Ternary (Methyl Propyl Ketone + Catechol/Resorcinol/Hydroquinone + Water) Systems
• Solubility of Hydroquinone in Different Solvents from 276.65 K to 345.10 K
• Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
• Liquid-Liquid Equilibria for the Ternary System Methyl Isobutyl Ketone + Water + Hydroquinone
• Measurements of Liquid Liquid Equilibria for the Quaternary System 2-Methoxy-2-methylpropane + Phenol + Hydroquinone + Water at 313.15 K
• Liquid Liquid Equilibria for Ternary Systems: Methyl Butyl Ketone + Phenol + Water and Methyl Butyl Ketone + Hydroquinone + Water at 298.15 K and 323.15 K
• Activity Coefficient Studies in Ternary Aqueous Solutions at 298.15 K: H2O + r-Cyclodextrin + Potassium Acetate and H2O + 18-Crown-6 + Hydroquinone Systems
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB

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