Chemical Properties of Mequinol (CAS 150-76-5)

InChI

InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChI Key

NWVVVBRKAWDGAB-UHFFFAOYSA-N

Formula

C7H8O2

SMILES

COc1ccc(O)cc1

Molecular Weight¹

124.14

CAS

150-76-5

Other Names

• 1-Hydroxy-4-methoxybenzene
• 4-Hydroxyanisole
• 4-Methoxyphenol
• BMS 181158
• Eastman HQMME
• HQMME
• Hydroquinone methyl ether
• Hydroquinone monomethyl ether
• Hydroxyanisole
• Leucobasal
• Leucodine B
• MEHQ
• MME
• Mechinolum
• Mequinol (INN)
• Monomethyl ether hydroquinone
• NSC 4960
• Novo-dermoquinona
• PMF (antioxidant)
• Phenol, 4-methoxy-
• Phenol, p-methoxy-
• Po-hydroxyanisole
• USAF AN-7
• p-Guaiacol
• p-Hydroxyanisole
• p-Hydroxymethoxybenzene
• p-Methoxyphenol

• C_p,gas : Ideal gas 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_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).
• I_np : Non-polar retention indices.
• 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
ΔfG°	-139.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.81	kJ/mol	Joback Calculated Property
ΔfusH°	14.90	kJ/mol	Joback Calculated Property
ΔsubH°	94.40 ± 1.20	kJ/mol	NIST
ΔvapH°	48.88	kJ/mol	Joback Calculated Property
IE	[7.50; 8.00]	eV
IE	7.50	eV	NIST
IE	8.00 ± 0.10	eV	NIST
log10WS	-1.14		Crippen Calculated Property
logPoct/wat	1.401		Crippen Calculated Property
McVol	97.470	ml/mol	McGowan Calculated Property
Pc	4910.80	kPa	Joback Calculated Property
Inp	[1180.00; 1234.70]
Inp	1210.00		NIST
Inp	1183.00		NIST
Inp	Outlier 1234.70		NIST
Inp	1197.00		NIST
Inp	1185.00		NIST
Inp	1186.00		NIST
Inp	1186.00		NIST
Inp	1187.00		NIST
Inp	1198.00		NIST
Inp	1180.00		NIST
Inp	1210.00		NIST
Inp	1210.00		NIST
Inp	1198.00		NIST
Tboil	[516.00; 516.20]	K
Tboil	516.20	K	NIST
Tboil	516.00	K	NIST
Tc	716.68	K	Joback Calculated Property
Tfus	[326.00; 330.15]	K
Tfus	330.15	K	Liquid ...
Tfus	326.00	K	NIST
Vc	0.303	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.43; 258.19]	J/mol×K	[489.28; 716.68]
Cp,gas	205.43	J/mol×K	489.28	Joback Calculated Property
Cp,gas	215.86	J/mol×K	527.18	Joback Calculated Property
Cp,gas	225.57	J/mol×K	565.08	Joback Calculated Property
Cp,gas	234.59	J/mol×K	602.98	Joback Calculated Property
Cp,gas	243.00	J/mol×K	640.88	Joback Calculated Property
Cp,gas	250.84	J/mol×K	678.78	Joback Calculated Property
Cp,gas	258.19	J/mol×K	716.68	Joback Calculated Property
η	[0.0000871; 0.0032569]	Pa×s	[329.02; 489.28]
η	0.0032569	Pa×s	329.02	Joback Calculated Property
η	0.0014199	Pa×s	355.73	Joback Calculated Property
η	0.0006951	Pa×s	382.44	Joback Calculated Property
η	0.0003736	Pa×s	409.15	Joback Calculated Property
η	0.0002167	Pa×s	435.86	Joback Calculated Property
η	0.0001338	Pa×s	462.57	Joback Calculated Property
η	0.0000871	Pa×s	489.28	Joback Calculated Property
ΔfusH	[18.30; 18.30]	kJ/mol	[328.40; 328.40]
ΔfusH	18.30	kJ/mol	328.40	NIST
ΔfusH	18.30	kJ/mol	328.40	NIST
ΔsubH	88.70	kJ/mol	289.00	NIST
ΔvapH	61.40	kJ/mol	468.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[393.55; 478.44]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.36648e+01
Coefficient B			-7.25022e+03
Coefficient C			-8.34070e+01
Temperature range, min.			393.55
Temperature range, max.			478.44
Pvap	1.33	kPa	393.55	Calculated Property
Pvap	2.66	kPa	402.98	Calculated Property
Pvap	5.09	kPa	412.41	Calculated Property
Pvap	9.42	kPa	421.85	Calculated Property
Pvap	16.83	kPa	431.28	Calculated Property
Pvap	29.18	kPa	440.71	Calculated Property
Pvap	49.17	kPa	450.14	Calculated Property
Pvap	80.72	kPa	459.58	Calculated Property
Pvap	129.34	kPa	469.01	Calculated Property
Pvap	202.63	kPa	478.44	Calculated Property

Similar Compounds

Find more compounds similar to Mequinol.

Mixtures

• Choline chloride + Mequinol
• Mequinol + Water
• Toluene + Mequinol + Water

Sources

• Crippen Method
• Crippen Method
• Liquid pharmaceuticals formulation by eutectic formation
• Liquid-Liquid Equilibrium Measurements for Model Systems Related to Catalytic Fast Pyrolysis of Biomass
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.