Chemical Properties of Resorcinol (CAS 108-46-3)

InChI

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

InChI Key

GHMLBKRAJCXXBS-UHFFFAOYSA-N

Formula

C6H6O2

SMILES

Oc1cccc(O)c1

Molecular Weight¹

110.11

CAS

108-46-3

Other Names

• 1,3-Dihydroxybenzene (resorcinol)
• 1,3-benzenediol
• 1,3-dihydroxybenzene
• 3-hydroxyphenol
• Benzene, 1,3-dihydroxy-
• Benzene, m-dihydroxy-
• C.I. 76505
• C.I. Developer 4
• C.I. Oxidation Base 31
• Developer O
• Developer R
• Developer RS
• Durafur Developer G
• Fouramine RS
• Fourrine 79
• Fourrine EW
• NCI-C05970
• NSC 1571
• Nako TGG
• Pelagol Grey RS
• Pelagol RS
• Phenol, m-hydroxy-
• Rcra waste number U201
• Resorcin
• Resorcine
• Rodol RS
• UN 2876
• m-Dioxybenzene
• m-Hydroquinone
• m-Hydroxyphenol
• m-benzenediol
• m-dihydroxybenzene
• «alpha»-Resorcinol

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• 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).
• S_Prot : Protonation entropy at 298K (J/mol×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.
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boil : Boiling point at given pressure (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	0.6030		Relay (1.0) Calculated Property
PAff	856.40	kJ/mol	NIST
ΔcH°solid	[-2867.00; -2847.90]	kJ/mol
ΔcH°solid	-2847.90 ± 1.10	kJ/mol	NIST
ΔcH°solid	-2850.60 ± 0.42	kJ/mol	NIST
ΔcH°solid	-2867.00	kJ/mol	NIST
ΔcH°solid	-2861.00	kJ/mol	NIST
SProt	-15.00	J/mol×K	NIST
ΔfG°	-187.56	kJ/mol	Joback Calculated Property
ΔfH°gas	[-284.70; -265.20]	kJ/mol
ΔfH°gas	-284.70 ± 1.20	kJ/mol	NIST
ΔfH°gas	-275.00	kJ/mol	NIST
ΔfH°gas	-265.20	kJ/mol	NIST
ΔfH°solid	[-370.70; -351.20]	kJ/mol
ΔfH°solid	-370.70 ± 1.10	kJ/mol	NIST
ΔfH°solid	-368.00 ± 0.50	kJ/mol	NIST
ΔfH°solid	-351.20	kJ/mol	NIST
ΔfusH°	17.29	kJ/mol	Joback Calculated Property
ΔsubH°	[86.00; 93.00]	kJ/mol
ΔsubH°	86.00 ± 0.52	kJ/mol	NIST
ΔsubH°	86.00	kJ/mol	NIST
ΔsubH°	87.50 ± 0.50	kJ/mol	NIST
ΔsubH°	Outlier 93.00	kJ/mol	NIST
ΔsubH°	86.00 ± 0.52	kJ/mol	NIST
ΔsubH°	86.00	kJ/mol	NIST
ΔsubH°	87.50 ± 0.50	kJ/mol	NIST
ΔvapH°	78.40 ± 1.30	kJ/mol	NIST
IE	[8.20; 8.63]	eV
IE	8.20	eV	NIST
IE	8.63	eV	NIST
log10WS	[0.81; 0.81]
log10WS	0.81		Aq. Solubility Prediction
log10WS	0.81		Estimated Solubility
logPoct/wat	1.098		Crippen Calculated Property
McVol	83.380	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
Pc	6240.00	kPa	Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
Inp	[213.50; 1379.00]
Inp	1379.00		NIST
Inp	1376.00		NIST
Inp	1368.00		NIST
Inp	1368.00		NIST
Inp	213.50		NIST
Inp	216.79		NIST
Inp	219.64		NIST
Inp	213.50		NIST
Inp	1368.00		NIST
Inp	1376.00		NIST
Tboil	[549.05; 554.55]	K
Tboil	549.05	K	KDB
Tboil	550.00	K	NIST
Tboil	549.10 ± 0.40	K	NIST
Tboil	554.55 ± 0.50	K	NIST
Tc	761.48	K	Relay (1.0) Calculated Property
Tfus	[381.00; 390.00]	K
Tfus	383.15	K	Liquid pharmaceuticals formulation by eutectic formation
Tfus	382.00	K	Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data
Tfus	382.20	K	The fusion thermochemistry of self-associated aromatic compounds at 298.15 K studied by solution calorimetry
Tfus	383.65	K	Thermal, physicochemical and microstructural studies of organic analog of nonmetal-nonmetal monotectic alloy
Tfus	382.85	K	KDB
Tfus	383.90	K	Aq. Solubility Prediction
Tfus	382.60 ± 0.50	K	NIST
Tfus	384.00	K	NIST
Tfus	381.00 ± 1.00	K	NIST
Tfus	382.00 ± 1.00	K	NIST
Tfus	383.50 ± 0.30	K	NIST
Tfus	Outlier 390.00 ± 1.50	K	NIST
Tfus	381.95 ± 0.50	K	NIST
Ttriple	[382.70; 383.54]	K
Ttriple	383.54 ± 0.02	K	NIST
Ttriple	382.70 ± 0.20	K	NIST
Ttriple	382.80 ± 0.25	K	NIST
Ttriple	383.54 ± 0.02	K	NIST
Ttriple	382.80 ± 0.25	K	NIST
Vc	0.254	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.33; 226.33]	J/mol×K	[519.62; 766.85]
Cp,gas	186.33	J/mol×K	519.62	Joback Calculated Property
Cp,gas	194.85	J/mol×K	560.83	Joback Calculated Property
Cp,gas	202.41	J/mol×K	602.03	Joback Calculated Property
Cp,gas	209.18	J/mol×K	643.24	Joback Calculated Property
Cp,gas	215.32	J/mol×K	684.44	Joback Calculated Property
Cp,gas	220.99	J/mol×K	725.65	Joback Calculated Property
Cp,gas	226.33	J/mol×K	766.85	Joback Calculated Property
Cp,solid	[131.00; 151.00]	J/mol×K	[297.90; 323.00]
Cp,solid	131.40	J/mol×K	297.90	NIST
Cp,solid	131.00	J/mol×K	298.00	NIST
Cp,solid	135.53	J/mol×K	298.15	NIST
Cp,solid	139.30	J/mol×K	298.15	NIST
Cp,solid	151.00	J/mol×K	323.00	NIST
η	[0.0000251; 0.0009603]	Pa×s	[394.72; 519.62]
η	0.0009603	Pa×s	394.72	Joback Calculated Property
η	0.0004493	Pa×s	415.54	Joback Calculated Property
η	0.0002260	Pa×s	436.35	Joback Calculated Property
η	0.0001210	Pa×s	457.17	Joback Calculated Property
η	0.0000684	Pa×s	477.99	Joback Calculated Property
η	0.0000406	Pa×s	498.80	Joback Calculated Property
η	0.0000251	Pa×s	519.62	Joback Calculated Property
ΔfusH	[1.20; 21.30]	kJ/mol	[366.80; 382.90]
ΔfusH	1.20	kJ/mol	366.80	NIST
ΔfusH	20.50	kJ/mol	381.00	NIST
ΔfusH	18.90	kJ/mol	382.60	NIST
ΔfusH	18.90	kJ/mol	382.60	NIST
ΔfusH	21.30	kJ/mol	382.80	NIST
ΔfusH	21.30	kJ/mol	382.80	NIST
ΔfusH	21.30	kJ/mol	382.90	NIST
ΔfusH	21.30	kJ/mol	382.90	NIST
ΔsubH	[85.30; 95.00]	kJ/mol	[303.00; 353.50]
ΔsubH	93.40	kJ/mol	303.00	NIST
ΔsubH	95.00 ± 1.00	kJ/mol	329.00	NIST
ΔsubH	93.00 ± 21.00	kJ/mol	329.50	NIST
ΔsubH	85.30 ± 0.50	kJ/mol	334.00	NIST
ΔsubH	85.30 ± 0.50	kJ/mol	334.00	NIST
ΔsubH	92.30	kJ/mol	353.50	NIST
ΔvapH	[74.30; 74.30]	kJ/mol	[427.50; 484.50]
ΔvapH	74.30	kJ/mol	427.50	NIST
ΔvapH	74.30	kJ/mol	484.50	NIST
Psub	[4.00e-04; 0.02]	kPa	[323.10; 364.30]
Psub	4.00e-04	kPa	323.10	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	5.48e-04	kPa	326.10	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	6.17e-04	kPa	326.70	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	7.74e-04	kPa	329.10	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	8.81e-04	kPa	330.10	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	9.66e-04	kPa	331.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	1.06e-03	kPa	332.10	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	1.24e-03	kPa	333.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	1.34e-03	kPa	334.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	1.47e-03	kPa	335.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	1.86e-03	kPa	337.10	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	2.23e-03	kPa	339.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	2.54e-03	kPa	340.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	2.72e-03	kPa	341.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	2.71e-03	kPa	341.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	3.40e-03	kPa	343.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	3.41e-03	kPa	343.50	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	3.54e-03	kPa	344.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	3.67e-03	kPa	344.40	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	4.58e-03	kPa	346.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	4.68e-03	kPa	346.40	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	5.53e-03	kPa	348.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	5.56e-03	kPa	348.40	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	5.69e-03	kPa	349.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	6.49e-03	kPa	350.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	6.43e-03	kPa	350.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	7.32e-03	kPa	351.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	7.73e-03	kPa	352.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	8.71e-03	kPa	353.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	9.84e-03	kPa	354.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.01	kPa	355.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.01	kPa	356.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.01	kPa	357.40	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.01	kPa	358.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.01	kPa	358.60	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.02	kPa	360.20	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.02	kPa	360.40	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.02	kPa	361.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
Psub	0.02	kPa	364.30	Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
ΔfusS	[3.27; 55.60]	J/mol×K	[366.80; 382.80]
ΔfusS	3.27	J/mol×K	366.80	NIST
ΔfusS	53.80	J/mol×K	381.00	NIST
ΔfusS	49.41	J/mol×K	382.60	NIST
ΔfusS	55.60	J/mol×K	382.80	NIST
ΔfusS	55.60	J/mol×K	382.80	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil	[444.70; 456.80]	K	[2.95; 4.93]
Tboil	444.70	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	451.30	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	456.80	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
Tboilr	451.20	K	2.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.09; 7618.13]	kPa	[382.00; 810.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.64521e+02
Coefficient B			-1.68432e+04
Coefficient C			-2.08308e+01
Coefficient D			7.18739e-06
Temperature range, min.			382.00
Temperature range, max.			810.00
Pvap	0.09	kPa	382.00	Calculated Property
Pvap	1.41	kPa	429.56	Calculated Property
Pvap	10.76	kPa	477.11	Calculated Property
Pvap	51.35	kPa	524.67	Calculated Property
Pvap	176.66	kPa	572.22	Calculated Property
Pvap	481.64	kPa	619.78	Calculated Property
Pvap	1111.85	kPa	667.33	Calculated Property
Pvap	2278.49	kPa	714.89	Calculated Property
Pvap	4290.69	kPa	762.44	Calculated Property
Pvap	7618.13	kPa	810.00	Calculated Property

Similar Compounds

Find more compounds similar to Resorcinol.

Mixtures

• Resorcinol + Choline chloride
• Resorcinol + Benzene, 1,4-diiodo-
• Resorcinol + 2-Butanone, 3-methyl- + Water
• Resorcinol + Water
• Resorcinol + Carbon dioxide
• Resorcinol + Carbon dioxide + 1,2-Benzenediol
• Methyl Isobutyl Ketone + Resorcinol + Water
• Resorcinol + Water + Niacinamide
• Resorcinol + 2-Octanone + Water
• Resorcinol + 2-Pentanone + Water
• Resorcinol + Ethanol
• 1-Propanol + Resorcinol
• Resorcinol + 1-Butanol

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Partial Molar Volumes and Viscosity B-Coefficients of Nicotinamide in Aqueous Resorcinol Solutions at T=(298.15, 308.15, and 318.15)K
• 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
• Vapour pressure data for 2-n-propylresorcinol, 4-ethylresorcinol and 4-hexylresorcinol near their normal boiling points measured by differential scanning calorimetry
• The fusion thermochemistry of self-associated aromatic compounds at 298.15 K studied by solution calorimetry
• Di-Hydroxybenzenes: Catechol, Resorcinol, and Hydroquinone. Enthalpies of Phase Transitions Revisited
• Thermal, physicochemical and microstructural studies of organic analog of nonmetal-nonmetal monotectic alloy
• Solubilities of resorcinol and pyrocathecol and their mixture in supercritical carbon dioxide
• Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine
• 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
• Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method
• Densities and Viscosities of Binary Solutions of Benzene-1,3-diol + Water, Ethanol, Propan-1-ol, and Butan-1-ol at T = (293.15 to 333.15) K
• Liquid Liquid Equilibria for the Ternary System Methyl Isobutyl Ketone + m-Benzenediol + Water
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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