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

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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
• 1,4-Benzenediol (hydroquinone)
• 1,4-Dihydroxy-benzeen
• 1,4-Dihydroxy-benzol
• 1,4-Dihydroxybenzen
• 1,4-Dihydroxybenzene
• 1,4-Diidrobenzene
• 4-Hydroxyphenol
• Aida
• Arctuvin
• Benzene, p-dihydroxy-
• Benzohydroquinone
• Benzoquinol
• 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
• p-Benzenediol
• p-Dihydroquinone
• p-Dihydroxybenzene
• p-Dioxobenzene
• p-Dioxybenzene
• p-Hydroquinone
• p-Hydroxyphenol

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• 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).
• 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).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• 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_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
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
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°	17.29	kJ/mol	Joback Calculated Property
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°	103.76	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
logPoct/wat	1.098		Crippen Calculated Property
Pc	7561.44	kPa	Joback Calculated Property
S°gas	343.10 ± 5.00	J/mol×K	NIST
Tboil	[558.00; 558.20]	K
Tboil	558.20	K	NIST
Tboil	558.20 ± 1.00	K	NIST
Tboil	558.20	K	NIST
Tboil	558.00	K	NIST
Tc	766.85	K	Joback Calculated Property
Tfus	445.00 ± 0.60	K	NIST
Tfus	445.00	K	NIST
Tfus	443.50 ± 0.30	K	NIST
Ttriple	445.98 ± 0.03	K	NIST
Ttriple	445.50 ± 0.30	K	NIST
Vc	0.196	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	186.33	J/mol×K	519.62	Joback Calculated Property
Cp,solid	[130.50; 150.20]	J/mol×K	[274.30; 323.00]
Cp,solid	130.50	J/mol×K	274.3	NIST
Cp,solid	133.50	J/mol×K	297.9	NIST
Cp,solid	139.70	J/mol×K	298.0	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	323.0	NIST
η	0.0000251	Pa×s	519.62	Joback Calculated Property
ΔfusH	[26.48; 27.23]	kJ/mol	[444.95; 453.00]
ΔfusH	26.50	kJ/mol	444.95	NIST
ΔfusH	27.23	kJ/mol	445.1	NIST
ΔfusH	27.11	kJ/mol	445.1	NIST
ΔfusH	27.11	kJ/mol	445.5	NIST
ΔfusH	26.48	kJ/mol	453.0	NIST
ΔsubH	[93.70; 104.00]	kJ/mol	[322.00; 370.50]
ΔsubH	103.80	kJ/mol	322.0	NIST
ΔsubH	100.60 ± 1.30	kJ/mol	332.0	NIST
ΔsubH	93.70 ± 0.50	kJ/mol	334.0	NIST
ΔsubH	103.80	kJ/mol	335.5	NIST
ΔsubH	104.00 ± 1.00	kJ/mol	342.0	NIST
ΔsubH	99.00 ± 2.00	kJ/mol	351.0	NIST
ΔsubH	101.30	kJ/mol	370.5	NIST
ΔvapH	70.50	kJ/mol	503.5	NIST
ΔfusS	59.00	J/mol×K	444.95	NIST
ΔfusS	60.90	J/mol×K	445.5	NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring)	2
-OH (phenol)	2
=CH- (ring)	4

Similar Compounds

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