Chemical Properties of 1,2,3-Benzenetriol (CAS 87-66-1)

1,2,3-Benzenetriol

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InChI
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChI Key
WQGWDDDVZFFDIG-UHFFFAOYSA-N
Formula
C6H6O3
SMILES
Oc1cccc(O)c1O
Molecular Weight1
126.11
CAS
87-66-1
Other Names
  • 1,2,3-TRIHYDROXYBENZENE
  • 1,2,3-Trihydroxybenzen
  • 2,3-Dihydroxyphenol
  • Benzene, 1,2,3-trihydroxy-
  • Benzene-1,2,3-triol
  • C.I. 76515
  • C.I. 76551
  • C.I. Oxidation Base 32
  • Fouramine Brown AP
  • Fouramine base ap
  • Fourrine 85
  • Fourrine PG
  • NSC 5035
  • PYROGALLOL
  • Phenol
  • Piral
  • Pyro
  • Pyrogallic acid

Physical Properties

Property Value Unit Source
Δcsolid [-2667.40; -2586.00] kJ/mol Show Hide
Δcsolid -2667.40 ± 0.50 kJ/mol NIST
Δcsolid -2586.00 kJ/mol NIST
Δf -342.18 kJ/mol Joback Calculated Property
Δfgas -434.20 ± 1.10 kJ/mol NIST
Δfsolid -551.10 ± 0.90 kJ/mol NIST
Δfus 23.07 kJ/mol Joback Calculated Property
Δsub [104.00; 116.90] kJ/mol Show Hide
Δsub 104.00 kJ/mol NIST
Δsub 116.90 ± 0.60 kJ/mol NIST
Δsub 116.90 kJ/mol NIST
Δsub 116.90 ± 0.60 kJ/mol NIST
Δvap 69.61 kJ/mol Joback Calculated Property
log10WS -0.12 Crippen Calculated Property
logPoct/wat 0.803 Crippen Calculated Property
McVol 89.250 ml/mol McGowan Calculated Property
Pc 9980.03 kPa Joback Calculated Property
Inp [1329.00; 1385.70]   Show Hide
Inp 1385.70 NIST
Inp 1329.00 NIST
Inp 1329.00 NIST
Inp 1341.00 NIST
Inp 1329.00 NIST
Tboil [582.15; 582.20] K Show Hide
Tboil 582.20 K NIST
Tboil 582.15 ± 1.00 K NIST
Tc 858.52 K Joback Calculated Property
Tfus [398.65; 407.00] K Show Hide
Tfus 407.00 ± 1.00 K NIST
Tfus 398.65 ± 0.50 K NIST
Vc 0.162 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [222.40; 256.97] J/mol×K [600.24; 858.52] Show Hide
Cp,gas 222.40 J/mol×K 600.24 Joback Calculated Property
Cp,gas 229.07 J/mol×K 643.29 Joback Calculated Property
Cp,gas 235.05 J/mol×K 686.33 Joback Calculated Property
Cp,gas 240.59 J/mol×K 729.38 Joback Calculated Property
Cp,gas 245.92 J/mol×K 772.43 Joback Calculated Property
Cp,gas 251.30 J/mol×K 815.47 Joback Calculated Property
Cp,gas 256.97 J/mol×K 858.52 Joback Calculated Property
η [0.0000013; 0.0000185] Pa×s [506.44; 600.24] Show Hide
η 0.0000185 Pa×s 506.44 Joback Calculated Property
η 0.0000112 Pa×s 522.07 Joback Calculated Property
η 0.0000070 Pa×s 537.71 Joback Calculated Property
η 0.0000045 Pa×s 553.34 Joback Calculated Property
η 0.0000029 Pa×s 568.97 Joback Calculated Property
η 0.0000020 Pa×s 584.61 Joback Calculated Property
η 0.0000013 Pa×s 600.24 Joback Calculated Property
ΔfusH [18.55; 25.90] kJ/mol [405.60; 407.20] Show Hide
ΔfusH 25.90 kJ/mol 405.60 NIST
ΔfusH 18.55 kJ/mol 407.20 NIST
ΔfusH 18.55 kJ/mol 407.20 NIST
ΔsubH 89.10 kJ/mol 387.50 NIST
ΔvapH 69.50 kJ/mol 503.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 444.20 K 1.60 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.00; 202.67] kPa [435.15; 611.61] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A2.11663e+01
Coefficient B-1.11494e+04
Coefficient C9.16120e+01
Temperature range, min.435.15
Temperature range, max.611.61
Pvap 1.00 kPa 435.15 Calculated Property
Pvap 2.14 kPa 454.76 Calculated Property
Pvap 4.34 kPa 474.36 Calculated Property
Pvap 8.39 kPa 493.97 Calculated Property
Pvap 15.54 kPa 513.58 Calculated Property
Pvap 27.70 kPa 533.18 Calculated Property
Pvap 47.67 kPa 552.79 Calculated Property
Pvap 79.46 kPa 572.40 Calculated Property
Pvap 128.62 kPa 592.00 Calculated Property
Pvap 202.67 kPa 611.61 Calculated Property
Pvap [0.15; 8459.39] kPa [407.00; 830.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A-8.48206e+00
Coefficient B-7.36523e+03
Coefficient C4.17478e+00
Coefficient D-2.41200e-06
Temperature range, min.407.00
Temperature range, max.830.00
Pvap 0.15 kPa 407.00 Calculated Property
Pvap 1.40 kPa 454.00 Calculated Property
Pvap 8.71 kPa 501.00 Calculated Property
Pvap 39.68 kPa 548.00 Calculated Property
Pvap 142.07 kPa 595.00 Calculated Property
Pvap 419.78 kPa 642.00 Calculated Property
Pvap 1060.38 kPa 689.00 Calculated Property
Pvap 2351.87 kPa 736.00 Calculated Property
Pvap 4674.49 kPa 783.00 Calculated Property
Pvap 8459.39 kPa 830.00 Calculated Property

Similar Compounds

1,2-Benzenediol. 1,2,4-Benzenetriol. Resorcinol. 2-Methoxyresorcinol. Phenol-d6-. Phenol. 1,2-Benzenediol, 3-methoxy-. 1,3,5-Benzenetriol. 2,3-Naphthalenediol. 1,2-Dihydroxynaphthalene. 1,2-Benzenediol, 4-chloro-. Phenol, 2,6-dimethoxy-. Phenol, 2-methoxy-. 1,3-Naphthalenediol. Phenol, 3-phenoxy-.

Find more compounds similar to 1,2,3-Benzenetriol.

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