- 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
- Catechol (phenol)
- Durafur developer c
- Fouramine pch
- Fourrine 68
- Kachin
- Katechol
- NCI-C55856
- NSC 1573
- O-DIHYDROXYBENZENE
- Oxyphenic acid
- PYROCATECHOL
- Pelagol grey c
- Phthalhydroquinone
- Pyrocatechin
- Pyrocatechine
- Pyrokatechin
- Pyrokatechol
- benzene, 1,2-dihydroxy-
- c.i. 76500
- c.i. Oxidation base 26
- o-Benzenediol
- o-Dioxybenzene
- o-Diphenol
- o-Hydroquinone
- o-Hydroxyphenol
- o-Phenylenediol
- o-catecol
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρs : Solid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboil : Boiling point at given pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| 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 |
| 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-Hydr... |
| 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. Sol... | |
| log10WS | 0.62 | Estimat... | |
| logPoct/wat | 1.098 | Crippen Calculated Property | |
| McVol | 83.380 | ml/mol | McGowan Calculated Property |
| Pc | 7561.44 | kPa | Joback Calculated Property |
| 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 | |
| I | [2657.00; 2661.00] |
|
|
| I | 2661.00 | NIST | |
| I | 2657.00 | NIST | |
| Tboil | [513.00; 519.05] | K |
|
| Tboil | 518.75 | K | KDB |
| Tboil | 518.20 | K | NIST |
| Tboil | 513.00 | K | NIST |
| Tboil | 518.80 ± 0.40 | K | NIST |
| Tboil | 519.05 ± 0.50 | K | NIST |
| Tc | 766.85 | K | Joback Calculated Property |
| Tfus | [376.35; 378.85] | K |
|
| Tfus | 377.15 | K | KDB |
| Tfus | 378.35 | K | Aq. Sol... |
| Tfus | 378.15 | K | Liquid ... |
| Tfus | 377.00 | K | Enthalp... |
| Tfus | 378.85 | K | Liquid ... |
| 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 ± 0.20 | K | NIST |
| Vc | 0.196 | m3/kmol | Joback 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 | [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 |
| 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 | [18.55; 22.87] | kJ/mol | [337.50; 377.70] |
|
| 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 | 18.55 | kJ/mol | 377.60 | NIST |
| ΔfusH | 22.87 | 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 P... |
| Psub | 2.32e-04 | kPa | 295.90 | Vapor P... |
| Psub | 2.37e-04 | kPa | 296.20 | Vapor P... |
| Psub | 2.42e-04 | kPa | 296.20 | Vapor P... |
| Psub | 2.44e-04 | kPa | 296.20 | Vapor P... |
| Psub | 2.73e-04 | kPa | 297.30 | Vapor P... |
| Psub | 3.01e-04 | kPa | 298.20 | Vapor P... |
| Psub | 2.98e-04 | kPa | 298.30 | Vapor P... |
| Psub | 3.47e-04 | kPa | 299.40 | Vapor P... |
| Psub | 3.72e-04 | kPa | 300.20 | Vapor P... |
| Psub | 3.79e-04 | kPa | 300.30 | Vapor P... |
| Psub | 4.23e-04 | kPa | 301.40 | Vapor P... |
| Psub | 4.68e-04 | kPa | 302.20 | Vapor P... |
| Psub | 4.63e-04 | kPa | 302.30 | Vapor P... |
| Psub | 5.43e-04 | kPa | 303.50 | Vapor P... |
| Psub | 5.77e-04 | kPa | 304.20 | Vapor P... |
| Psub | 5.83e-04 | kPa | 304.40 | Vapor P... |
| Psub | 6.57e-04 | kPa | 305.60 | Vapor P... |
| Psub | 7.19e-04 | kPa | 306.10 | Vapor P... |
| Psub | 6.98e-04 | kPa | 306.20 | Vapor P... |
| Psub | 8.03e-04 | kPa | 307.60 | Vapor P... |
| Psub | 8.52e-04 | kPa | 308.20 | Vapor P... |
| Psub | 8.69e-04 | kPa | 308.60 | Vapor P... |
| Psub | 9.90e-04 | kPa | 309.80 | Vapor P... |
| Pvap | [81.47; 4007.00] | kPa | [511.30; 754.80] |
|
| Pvap | 81.47 | kPa | 511.30 | Critica... |
| Pvap | 147.00 | kPa | 535.70 | Critica... |
| Pvap | 187.40 | kPa | 547.00 | Critica... |
| Pvap | 349.10 | kPa | 577.60 | Critica... |
| Pvap | 487.90 | kPa | 595.60 | Critica... |
| Pvap | 499.40 | kPa | 597.30 | Critica... |
| Pvap | 742.90 | kPa | 621.80 | Critica... |
| Pvap | 988.90 | kPa | 640.10 | Critica... |
| Pvap | 992.80 | kPa | 640.90 | Critica... |
| Pvap | 1995.00 | kPa | 692.70 | Critica... |
| Pvap | 1996.00 | kPa | 692.70 | Critica... |
| Pvap | 2496.00 | kPa | 711.50 | Critica... |
| Pvap | 2993.00 | kPa | 727.50 | Critica... |
| Pvap | 2997.00 | kPa | 727.90 | Critica... |
| Pvap | 4007.00 | kPa | 753.50 | Critica... |
| Pvap | 3993.00 | kPa | 754.80 | Critica... |
| ρs | 1346.00 | kg/m3 | 298.15 | Liquid ... |
| ΔfusS | [58.00; 60.30] | J/mol×K | [337.50; 376.85] |
|
| 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 | [412.20; 423.80] | K | [2.95; 4.93] |
|
| Tboil | 412.20 | K | 2.95 | Vapour ... |
| Tboil | 418.60 | K | 3.93 | Vapour ... |
| Tboil | 423.80 | K | 4.93 | Vapour ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.68; 202.64] | kPa | [377.60; 546.32] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.05944e+02 | |||
| Coefficient B | -1.15782e+04 | |||
| Coefficient C | -1.29321e+01 | |||
| Coefficient D | 6.78528e-06 | |||
| 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 |
Similar Compounds
Find more compounds similar to 1,2-Benzenediol.
Mixtures
- Choline chloride + 1,2-Benzenediol
- 1,2-Benzenediol + Acetic acid, butyl ester + Water
- Methyl Isobutyl Ketone + 1,2-Benzenediol + Water
- 1,2-Benzenediol + Water
- Carbon dioxide + 1,2-Benzenediol
- Resorcinol + Carbon dioxide + 1,2-Benzenediol
- 2-Butanone, 3-methyl- + 1,2-Benzenediol + 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
- Crippen Method
- 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
- 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
- The Yaws Handbook of Vapor Pressure
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