Chemical Properties of 1,2-Benzenediol (CAS 120-80-9)

InChI

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

InChI Key

YCIMNLLNPGFGHC-UHFFFAOYSA-N

Formula

C6H6O2

SMILES

Oc1ccccc1O

Molecular Weight¹

110.11

CAS

120-80-9

Other Names

• 1,2-Benzenediol (pyrocatechol)
• 1,2-dihydroxybenzene
• 2-hydroxyphenol
• 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R-trans)-
• Benzene, o-dihydroxy-
• Catechol (phenol)
• Durafur developer c
• Fouramine pch
• Fourrine 68
• Kachin
• Katechol
• NCI-C55856
• NSC 1573
• Oxyphenic acid
• Pelagol grey c
• Phthalhydroquinone
• Pyrocatechin
• Pyrocatechine
• Pyrokatechin
• Pyrokatechol
• benzene, 1,2-dihydroxy-
• c.i. 76500
• c.i. Oxidation base 26
• catechol
• o-Dioxybenzene
• o-Diphenol
• o-Hydroquinone
• o-Hydroxyphenol
• o-Phenylenediol
• o-benzenediol
• o-catecol
• o-dihydroxybenzene
• pyrocatechol

• 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).
• 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).
• P_c : Critical Pressure (kPa).
• pKa : Log10 of Acid Dissociation Constant.
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_s : Solid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boil(P) : Boiling point at given 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	0.5145		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°solid	[-2874.00; -2856.30]	kJ/mol
ΔcH°solid	-2856.30 ± 1.10	kJ/mol	NIST
ΔcH°solid	-2864.50 ± 0.80	kJ/mol	NIST
ΔcH°solid	-2865.49 ± 0.74	kJ/mol	NIST
ΔcH°solid	-2874.00	kJ/mol	NIST
ΔcH°solid	-2862.00	kJ/mol	NIST
Tflash,cc	400.15	K	NCMS SOLV-DB
ΔfG°	-187.56	kJ/mol	Joback Calculated Property
ΔfH°gas	[-274.80; -262.50]	kJ/mol
ΔfH°gas	-274.80 ± 1.20	kJ/mol	NIST
ΔfH°gas	-267.50 ± 1.90	kJ/mol	NIST
ΔfH°gas	-271.60 ± 2.00	kJ/mol	NIST
ΔfH°gas	-262.50	kJ/mol	NIST
ΔfH°solid	[-362.30; -344.00]	kJ/mol
ΔfH°solid	-362.30 ± 1.10	kJ/mol	NIST
ΔfH°solid	-354.10 ± 1.10	kJ/mol	NIST
ΔfH°solid	-353.10 ± 1.10	kJ/mol	NIST
ΔfH°solid	-344.00	kJ/mol	NIST
ΔfusH°	22.87	kJ/mol	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
ΔsubH°	[81.50; 87.50]	kJ/mol
ΔsubH°	87.50 ± 0.29	kJ/mol	NIST
ΔsubH°	87.50	kJ/mol	NIST
ΔsubH°	87.50 ± 0.30	kJ/mol	NIST
ΔsubH°	86.60 ± 1.60	kJ/mol	NIST
ΔsubH°	86.60 ± 1.60	kJ/mol	NIST
ΔsubH°	86.60	kJ/mol	NIST
ΔsubH°	Outlier 81.50	kJ/mol	NIST
ΔvapH°	71.90 ± 0.80	kJ/mol	NIST
IE	[8.15; 8.56]	eV
IE	8.15	eV	NIST
IE	8.56	eV	NIST
log10WS	[0.62; 0.62]
log10WS	0.62		Aq. Solubility Prediction
log10WS	0.62		Estimated Solubility
logPoct/wat	0.880		NCMS SOLV-DB
McVol	83.380	ml/mol	McGowan Calculated Property
Pc	6494.93	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
pKa	9.45		NCMS SOLV-DB
Inp	[1197.00; 1219.00]
Inp	1197.00		NIST
Inp	1199.80		NIST
Inp	1215.00		NIST
Inp	1219.00		NIST
Inp	1210.00		NIST
Inp	1197.00		NIST
Inp	1201.00		NIST
Inp	1197.00		NIST
Inp	1219.00		NIST
Ip	[2657.00; 2661.00]
Ip	2661.00		NIST
Ip	2657.00		NIST
Tboil	[513.00; 519.05]	K
Tboil	518.75	K	KDB
Tboil	518.15	K	NCMS SOLV-DB
Tboil	518.20	K	NIST
Tboil	Outlier 513.00	K	NIST
Tboil	518.80 ± 0.40	K	NIST
Tboil	519.05 ± 0.50	K	NIST
Tc	770.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	[376.35; 378.85]	K
Tfus	378.15	K	Liquid pharmaceuticals formulation by eutectic formation
Tfus	377.00	K	Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data
Tfus	378.85	K	Liquid Liquid Equilibria for the Ternary System Methyl Isobutyl Ketone + 1,2-Benzenediol + Water
Tfus	378.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	377.15	K	KDB
Tfus	378.35	K	Aq. Solubility Prediction
Tfus	378.15	K	NCMS SOLV-DB
Tfus	376.90 ± 0.30	K	NIST
Tfus	377.70 ± 0.10	K	NIST
Tfus	378.00	K	NIST
Tfus	378.00 ± 1.00	K	NIST
Tfus	376.55 ± 0.50	K	NIST
Tfus	376.35 ± 0.50	K	NIST
Ttriple	[377.50; 377.50]	K
Ttriple	377.50 ± 0.20	K	NIST
Ttriple	377.50 ± 0.20	K	NIST
Vc	0.292	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[132.20; 156.90]	J/mol×K	[297.90; 323.00]
Cp,solid	139.30	J/mol×K	297.90	NIST
Cp,solid	132.20	J/mol×K	298.00	NIST
Cp,solid	140.17	J/mol×K	298.15	NIST
Cp,solid	140.60	J/mol×K	298.15	NIST
Cp,solid	156.90	J/mol×K	323.00	NIST
ΔfusH	[18.55; 22.87]	kJ/mol	[337.50; 377.70]
ΔfusH	22.76	kJ/mol	337.50	NIST
ΔfusH	22.76	kJ/mol	337.50	NIST
ΔfusH	22.00	kJ/mol	376.85	NIST
ΔfusH	22.01	kJ/mol	376.90	NIST
ΔfusH	22.01	kJ/mol	376.90	NIST
ΔfusH	22.76	kJ/mol	377.50	NIST
ΔfusH	22.76	kJ/mol	377.50	NIST
ΔfusH	22.87	kJ/mol	377.60	NIST
ΔfusH	18.55	kJ/mol	377.60	NIST
ΔfusH	22.54	kJ/mol	377.70	NIST
ΔsubH	[80.00; 81.00]	kJ/mol	[302.50; 309.00]
ΔsubH	80.00 ± 0.50	kJ/mol	302.50	NIST
ΔsubH	81.00 ± 2.00	kJ/mol	309.00	NIST
ΔvapH	[61.20; 63.10]	kJ/mol	[408.50; 457.00]
ΔvapH	61.20	kJ/mol	408.50	NIST
ΔvapH	63.10	kJ/mol	457.00	NIST
Psub	[2.19e-04; 9.90e-04]	kPa	[295.30; 309.80]
Psub	2.19e-04	kPa	295.30	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.32e-04	kPa	295.90	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.37e-04	kPa	296.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.42e-04	kPa	296.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.44e-04	kPa	296.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.73e-04	kPa	297.30	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	3.01e-04	kPa	298.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	2.98e-04	kPa	298.30	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	3.47e-04	kPa	299.40	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	3.72e-04	kPa	300.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	3.79e-04	kPa	300.30	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	4.23e-04	kPa	301.40	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	4.68e-04	kPa	302.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	4.63e-04	kPa	302.30	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	5.43e-04	kPa	303.50	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	5.77e-04	kPa	304.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	5.83e-04	kPa	304.40	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	6.57e-04	kPa	305.60	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	7.19e-04	kPa	306.10	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	6.98e-04	kPa	306.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	8.03e-04	kPa	307.60	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	8.52e-04	kPa	308.20	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	8.69e-04	kPa	308.60	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Psub	9.90e-04	kPa	309.80	Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
Pvap	[1.33e-03; 4007.00]	kPa	[298.15; 754.80]
Pvap	1.33e-03	kPa	298.15	NCMS SOLV-DB
Pvap	81.47	kPa	511.30	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	147.00	kPa	535.70	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	187.40	kPa	547.00	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	349.10	kPa	577.60	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	487.90	kPa	595.60	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	499.40	kPa	597.30	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	742.90	kPa	621.80	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	988.90	kPa	640.10	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	992.80	kPa	640.90	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	1996.00	kPa	692.70	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	1995.00	kPa	692.70	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	2496.00	kPa	711.50	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	2993.00	kPa	727.50	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	2997.00	kPa	727.90	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	4007.00	kPa	753.50	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Pvap	3993.00	kPa	754.80	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
ρs	1346.00	kg/m3	298.15	Liquid Liquid Equilibria for the Ternary System n-Butyl Acetate + Pyrocatechol + Water at Different Temperatures at 101.3 kPa
ΔfusS	[58.00; 60.30]	J/mol×K	[337.50; 376.85]
ΔfusS	60.30	J/mol×K	337.50	NIST
ΔfusS	60.30	J/mol×K	337.50	NIST
ΔfusS	58.00	J/mol×K	376.85	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil(P)	[412.20; 423.80]	K	[2.95; 4.93]
Tboil(P)	412.20	K	2.95	Vapour pressure data for 2-n-propylresorcinol, 4-ethylresorcinol and 4-hexylresorcinol near their normal boiling points measured by differential scanning calorimetry
Tboil(P)	418.60	K	3.93	Vapour pressure data for 2-n-propylresorcinol, 4-ethylresorcinol and 4-hexylresorcinol near their normal boiling points measured by differential scanning calorimetry
Tboil(P)	423.80	K	4.93	Vapour pressure data for 2-n-propylresorcinol, 4-ethylresorcinol and 4-hexylresorcinol near their normal boiling points measured by differential scanning calorimetry

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	[0.0019068; 0.0000166]	Pa×s	[377.64; 539.00]	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.			377.64
Temperature range, max.			539.00
η	0.0019068	Pa×s	377.64	Calculated Property
η	0.0009296	Pa×s	395.57	Calculated Property
η	0.0004824	Pa×s	413.50	Calculated Property
η	0.0002643	Pa×s	431.43	Calculated Property
η	0.0001519	Pa×s	449.35	Calculated Property
η	0.0000911	Pa×s	467.28	Calculated Property
η	0.0000568	Pa×s	485.21	Calculated Property
η	0.0000366	Pa×s	503.14	Calculated Property
η	0.0000243	Pa×s	521.07	Calculated Property
η	0.0000166	Pa×s	539.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.68; 202.64]	kPa	[377.60; 546.32]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.80971e+01
Coefficient B			-7.00435e+03
Coefficient C			1.50900e+00
Temperature range, min.			377.60
Temperature range, max.			546.32
Pvap	0.68	kPa	377.60	Calculated Property
Pvap	1.64	kPa	396.35	Calculated Property
Pvap	3.61	kPa	415.09	Calculated Property
Pvap	7.45	kPa	433.84	Calculated Property
Pvap	14.47	kPa	452.59	Calculated Property
Pvap	26.68	kPa	471.33	Calculated Property
Pvap	46.93	kPa	490.08	Calculated Property
Pvap	79.21	kPa	508.83	Calculated Property
Pvap	128.82	kPa	527.57	Calculated Property
Pvap	202.64	kPa	546.32	Calculated Property
Pvap	[0.61; 7328.62]	kPa	[377.60; 764.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.05944e+02
Coefficient B			-1.15782e+04
Coefficient C			-1.29321e+01
Coefficient D			6.78528e-06
Coefficient E			0.00000e+00
Temperature range, min.			377.60
Temperature range, max.			764.00
Pvap	0.61	kPa	377.60	Calculated Property
Pvap	4.40	kPa	420.53	Calculated Property
Pvap	20.77	kPa	463.47	Calculated Property
Pvap	72.83	kPa	506.40	Calculated Property
Pvap	206.49	kPa	549.33	Calculated Property
Pvap	501.45	kPa	592.27	Calculated Property
Pvap	1087.24	kPa	635.20	Calculated Property
Pvap	2169.37	kPa	678.13	Calculated Property
Pvap	4074.59	kPa	721.07	Calculated Property
Pvap	7328.62	kPa	764.00	Calculated Property
Pvap	[1.33; 104.54]	kPa	[391.70; 518.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.72770e+01
Coefficient B			-6.24727e+03
Coefficient C			-2.39600e+01
Reference			von Terres, Gebert, et al., 1955
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			391.70
Temperature range, max.			518.70
Pvap	1.33	kPa	391.70	Calculated Property
Pvap	2.50	kPa	405.81	Calculated Property
Pvap	4.48	kPa	419.92	Calculated Property
Pvap	7.71	kPa	434.03	Calculated Property
Pvap	12.80	kPa	448.14	Calculated Property
Pvap	20.56	kPa	462.26	Calculated Property
Pvap	32.07	kPa	476.37	Calculated Property
Pvap	48.70	kPa	490.48	Calculated Property
Pvap	72.16	kPa	504.59	Calculated Property
Pvap	104.54	kPa	518.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.03]	N/m	[377.15; 518.65]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			7.07904e-02
Coefficient B			-8.49000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			377.15
Temperature range, max.			518.65
γ	0.04	N/m	377.15	Calculated Property
γ	0.04	N/m	392.87	Calculated Property
γ	0.04	N/m	408.59	Calculated Property
γ	0.03	N/m	424.32	Calculated Property
γ	0.03	N/m	440.04	Calculated Property
γ	0.03	N/m	455.76	Calculated Property
γ	0.03	N/m	471.48	Calculated Property
γ	0.03	N/m	487.21	Calculated Property
γ	0.03	N/m	502.93	Calculated Property
γ	0.03	N/m	518.65	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenediol.

Mixtures

• Choline chloride + 1,2-Benzenediol
• 1,2-Benzenediol + Water
• Carbon dioxide + 1,2-Benzenediol
• Resorcinol + Carbon dioxide + 1,2-Benzenediol
• Methyl Isobutyl Ketone + 1,2-Benzenediol + Water
• 2-Butanone, 3-methyl- + 1,2-Benzenediol + Water
• 1,2-Benzenediol + Acetic acid, butyl ester + Water
• 2-Pentanone + 1,2-Benzenediol + Water
• 3-Penten-2-one, 4-methyl- + 1,2-Benzenediol + Water
• 1,2-Benzenediol + 2-Octanone + Water

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• 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
• Extraction of phenolic compounds from aqueous solution using choline bis(trifluoromethylsulfonyl)imide
• Liquid pharmaceuticals formulation by eutectic formation
• Phase equilibria of phenolic compounds in water or ethanol
• 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
• Vapour pressure data for 2-n-propylresorcinol, 4-ethylresorcinol and 4-hexylresorcinol near their normal boiling points measured by differential scanning calorimetry
• Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
• Solubilities of resorcinol and pyrocathecol and their mixture in supercritical carbon dioxide
• Liquid Liquid Equilibria for the Ternary System n-Butyl Acetate + Pyrocatechol + Water at Different Temperatures at 101.3 kPa
• Liquid-Liquid Equilibrium of Water + 2-Methoxyphenol + Methyl Isobutyl Ketone and Water + 1,2-Benzenediol + Methyl Isobutyl Ketone at 303.15 K and 328.15 K
• Liquid-Liquid Equilibrium for Ternary Systems of 2-Pentanone/Mesityl Oxide + Catechol + Water at 298.2, 318.2, and 333.2 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
• Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
• Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
• Liquid Liquid Equilibria for the Ternary System Methyl Isobutyl Ketone + 1,2-Benzenediol + Water
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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