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

1,2-Benzenediol

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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

Physical Properties

Property Value Unit Source
Δcsolid [-2874.00; -2856.30] kJ/mol Show Hide
Δcsolid -2856.30 ± 1.10 kJ/mol NIST
Δcsolid -2864.50 ± 0.80 kJ/mol NIST
Δcsolid -2865.49 ± 0.74 kJ/mol NIST
Δcsolid -2874.00 kJ/mol NIST
Δcsolid -2862.00 kJ/mol NIST
Δf -187.56 kJ/mol Joback Calculated Property
Δfgas [-274.80; -262.50] kJ/mol Show Hide
Δfgas -274.80 ± 1.20 kJ/mol NIST
Δfgas -267.50 ± 1.90 kJ/mol NIST
Δfgas -271.60 ± 2.00 kJ/mol NIST
Δfgas -262.50 kJ/mol NIST
Δfsolid [-362.30; -344.00] kJ/mol Show Hide
Δfsolid -362.30 ± 1.10 kJ/mol NIST
Δfsolid -354.10 ± 1.10 kJ/mol NIST
Δfsolid -353.10 ± 1.10 kJ/mol NIST
Δfsolid -344.00 kJ/mol NIST
Δfus 22.87 kJ/mol Di-Hydr...
Δsub [81.50; 87.50] kJ/mol Show Hide
Δsub 87.50 ± 0.29 kJ/mol NIST
Δsub 87.50 kJ/mol NIST
Δsub 87.50 ± 0.30 kJ/mol NIST
Δsub 86.60 ± 1.60 kJ/mol NIST
Δsub 86.60 ± 1.60 kJ/mol NIST
Δsub 86.60 kJ/mol NIST
Δsub Outlier 81.50 kJ/mol NIST
Δvap 71.90 ± 0.80 kJ/mol NIST
IE [8.15; 8.56] eV Show Hide
IE 8.15 eV NIST
IE 8.56 eV NIST
log10WS [0.62; 0.62]   Show Hide
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]   Show Hide
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]   Show Hide
I 2661.00 NIST
I 2657.00 NIST
Tboil [513.00; 519.05] K Show Hide
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; 379.25] K Show Hide
Tfus 377.15 K KDB
Tfus 378.35 K Aq. Sol...
Tfus 378.15 K Liquid ...
Tfus 377.00 K Enthalp...
Tfus 379.25 K Liquid ...
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; 377.60] K Show Hide
Ttriple 377.60 K Di-Hydr...
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] Show Hide
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] Show Hide
Cp,solid 139.30 J/mol×K 297.90 NIST
Cp,solid 140.10 J/mol×K 298.00 Liquid ...
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] Show Hide
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] Show Hide
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] Show Hide
ΔsubH 80.00 ± 0.50 kJ/mol 302.50 NIST
ΔsubH 81.00 ± 2.00 kJ/mol 309.00 NIST
ΔvapH [61.20; 87.50] kJ/mol [332.20; 457.00] Show Hide
ΔvapH 87.50 kJ/mol 332.20 Enthalp...
ΔvapH 61.20 kJ/mol 408.50 NIST
ΔvapH 63.10 kJ/mol 457.00 NIST
Psub [2.19e-04; 0.51] kPa [295.30; 377.00] Show Hide
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 5.30e-04 kPa 303.20 Di-Hydr...
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 6.50e-04 kPa 305.30 Di-Hydr...
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 9.50e-04 kPa 308.00 Di-Hydr...
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...
Psub 1.09e-03 kPa 310.00 Di-Hydr...
Psub 1.72e-03 kPa 313.20 Di-Hydr...
Psub 2.41e-03 kPa 316.20 Di-Hydr...
Psub 2.90e-03 kPa 318.20 Di-Hydr...
Psub 2.93e-03 kPa 318.30 Di-Hydr...
Psub 3.65e-03 kPa 320.10 Di-Hydr...
Psub 4.72e-03 kPa 322.90 Di-Hydr...
Psub 5.10e-03 kPa 323.50 Di-Hydr...
Psub 5.45e-03 kPa 324.60 Di-Hydr...
Psub 6.52e-03 kPa 326.00 Di-Hydr...
Psub 6.97e-03 kPa 326.60 Di-Hydr...
Psub 8.00e-03 kPa 328.10 Di-Hydr...
Psub 7.78e-03 kPa 328.10 Di-Hydr...
Psub 7.76e-03 kPa 328.60 Di-Hydr...
Psub 0.01 kPa 331.30 Di-Hydr...
Psub 0.01 kPa 332.30 Di-Hydr...
Psub 0.01 kPa 332.80 Di-Hydr...
Psub 0.01 kPa 334.00 Di-Hydr...
Psub 0.01 kPa 334.10 Di-Hydr...
Psub 0.02 kPa 335.30 Di-Hydr...
Psub 0.02 kPa 336.80 Di-Hydr...
Psub 0.02 kPa 337.20 Di-Hydr...
Psub 0.02 kPa 337.30 Di-Hydr...
Psub 0.03 kPa 340.20 Di-Hydr...
Psub 0.03 kPa 340.30 Di-Hydr...
Psub 0.03 kPa 340.80 Di-Hydr...
Psub 0.03 kPa 343.20 Di-Hydr...
Psub 0.03 kPa 343.30 Di-Hydr...
Psub 0.03 kPa 344.70 Di-Hydr...
Psub 0.04 kPa 346.20 Di-Hydr...
Psub 0.04 kPa 346.30 Di-Hydr...
Psub 0.05 kPa 348.70 Di-Hydr...
Psub 0.06 kPa 349.20 Di-Hydr...
Psub 0.06 kPa 349.50 Di-Hydr...
Psub 0.08 kPa 352.60 Di-Hydr...
Psub 0.07 kPa 352.70 Di-Hydr...
Psub 0.10 kPa 355.60 Di-Hydr...
Psub 0.11 kPa 356.80 Di-Hydr...
Psub 0.13 kPa 358.60 Di-Hydr...
Psub 0.14 kPa 360.70 Di-Hydr...
Psub 0.17 kPa 361.60 Di-Hydr...
Psub 0.20 kPa 364.50 Di-Hydr...
Psub 0.29 kPa 368.50 Di-Hydr...
Psub 0.38 kPa 372.30 Di-Hydr...
Psub 0.51 kPa 377.00 Di-Hydr...
Pvap [0.60; 4007.00] kPa [378.20; 754.80] Show Hide
Pvap 0.60 kPa 378.20 Di-Hydr...
Pvap 0.62 kPa 378.70 Di-Hydr...
Pvap 0.64 kPa 379.30 Di-Hydr...
Pvap 0.67 kPa 380.30 Di-Hydr...
Pvap 0.71 kPa 381.30 Di-Hydr...
Pvap 0.76 kPa 382.20 Di-Hydr...
Pvap 0.81 kPa 383.30 Di-Hydr...
Pvap 0.83 kPa 384.30 Di-Hydr...
Pvap 0.90 kPa 385.30 Di-Hydr...
Pvap 0.94 kPa 386.30 Di-Hydr...
Pvap 0.99 kPa 387.30 Di-Hydr...
Pvap 1.09 kPa 389.20 Di-Hydr...
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 1996.00 kPa 692.70 Critica...
Pvap 1995.00 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; 1346.00] kg/m3 [298.15; 298.15] Show Hide
ρs 1346.00 kg/m3 298.15 Liquid ...
ρs 1346.00 kg/m3 298.15 Liquid ...
ΔfusS [58.00; 60.30] J/mol×K [337.50; 376.85] Show Hide
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] Show Hide
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... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.80971e+01
Coefficient B-7.00435e+03
Coefficient C1.50900e+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... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.05944e+02
Coefficient B-1.15782e+04
Coefficient C-1.29321e+01
Coefficient D6.78528e-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

1,2,3-Benzenetriol. 1,2,4-Benzenetriol. Phenol-d6-. Phenol. Resorcinol. 2,3-Naphthalenediol. Hydroquinone. 1,2-Dihydroxynaphthalene. 1,2-Benzenediol, 4-chloro-. Phenol, 2-methoxy-. 2-Methoxyresorcinol. 2-Naphthalenol. 2,6-Dihydroxynaphthalene. phenoxide anion. 1-Naphthalenol.

Find more compounds similar to 1,2-Benzenediol.

Mixtures

Sources

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

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