Chemical Properties of 1,4-Naphthalenedione, 5-hydroxy-

1,4-Naphthalenedione, 5-hydroxy-

InChI
InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
InChI Key
KQPYUDDGWXQXHS-UHFFFAOYSA-N
Formula
C10H6O3
SMILES
O=C1C=CC(=O)c2c(O)cccc21
Molecular Weight1
174.16
Other Names
  • 1,4-Dihydro-1,4-dioxo-5-hydroxynaphthalene
  • 1,4-Naphthoquinone, 5-hydroxy-
  • 1,4-Naphthoquinone, 8-hydroxy-
  • 5-Hydroxy-1,4-naftochinon
  • 5-Hydroxy-1,4-naphthalenedione
  • 5-Hydroxy-p-naphthoquinone
  • 5-Hydroxynaphthoquinone
  • 5-hydroxy-1,4-naphthoquinone
  • 5-hydroxynaphthalene-1,4-dione
  • 8-Hydroxy-1,4-naphthalenedione
  • 8-Hydroxy-1,4-naphthoquinone
  • Akhnot
  • C.I. 75500
  • C.I. Natural Brown 7
  • Iuglon
  • Juglane
  • Juglon
  • Jugnlon
  • NCI 2323
  • NSC 153189
  • NSC 622948
  • Nucin
  • Regianin
  • Walnut Extract
  • Yuglon
  • juglone
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Physical Properties

Property Value Unit Source
ΔfH°gas -320.75 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.30 kJ/mol Joback Calculated Property
IE [8.60; 8.85] eV Show Hide
IE 8.60 eV NIST
IE 8.70 ± 0.02 eV NIST
IE 8.85 eV NIST
log10WS -2.64 Relay (1.0) Calculated Property
logPoct/wat 1.327 Crippen Calculated Property
McVol 121.850 ml/mol McGowan Calculated Property
Tboil 570.04 K Relay (1.0) Calculated Property
Tfus 431.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [155.47; 377.91] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.53900e+01
Coefficient B7.45200e-01
Coefficient C-4.69200e-04
Coefficient D1.17300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 155.47 J/mol×K 273.00 Calculated Property
Cp,gas 194.71 J/mol×K 353.78 Calculated Property
Cp,gas 229.46 J/mol×K 434.56 Calculated Property
Cp,gas 260.08 J/mol×K 515.33 Calculated Property
Cp,gas 286.95 J/mol×K 596.11 Calculated Property
Cp,gas 310.43 J/mol×K 676.89 Calculated Property
Cp,gas 330.89 J/mol×K 757.67 Calculated Property
Cp,gas 348.71 J/mol×K 838.44 Calculated Property
Cp,gas 364.26 J/mol×K 919.22 Calculated Property
Cp,gas 377.91 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,4-Naphthalenedione, 5,8-dihydroxy-. 1,4-Naphthalenedione, 5-hydroxy-2-methyl-. 1,4-Naphthalenedione, 2,5,8-trihydroxy-. 5-Hydroxy-1-tetralone. 2'-Hydroxy-4,4',5',6'-tetramethoxychalcone. 5-Benzofuranol, 2-piperidino-2,3-dihydro-3-ethyl-. O-hydroxybenzoyl ferrocene. (-)-Bunolol, PFB-TMS. O-hydroxybenzoyl osmocene. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES. 5,8-Dihydro-5,8-ethano-2-phenyl-1,4-naphtho-hydroquinone. narwedine. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

Find more compounds similar to 1,4-Naphthalenedione, 5-hydroxy-.

Mixtures

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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