Chemical Properties of 1,4-Naphthalenedione, 2,5,8-trihydroxy- (CAS 13379-22-1)

1,4-Naphthalenedione, 2,5,8-trihydroxy-

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InChI
InChI=1S/C10H6O5/c11-4-1-2-5(12)9-8(4)6(13)3-7(14)10(9)15/h1-3,11-12,14H
InChI Key
ZFXYVCPRQYVJDR-UHFFFAOYSA-N
Formula
C10H6O5
SMILES
O=C1C=C(O)C(=O)c2c(O)ccc(O)c21
Molecular Weight1
206.15
CAS
13379-22-1
Other Names
  • 1,4-Naphthoquinone, 2,5,8-trihydroxy-
  • Naphthopurpurin
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Physical Properties

Property Value Unit Source
ΔfG° -478.45 kJ/mol Joback Calculated Property
ΔfH°gas -673.63 kJ/mol Joback Calculated Property
ΔfusH° 25.78 kJ/mol Joback Calculated Property
ΔvapH° 93.34 kJ/mol Joback Calculated Property
log10WS -1.46 Crippen Calculated Property
logPoct/wat 0.919 Crippen Calculated Property
McVol 133.590 ml/mol McGowan Calculated Property
Pc 7026.18 kPa Joback Calculated Property
Tboil 868.74 K Joback Calculated Property
Tc 1122.77 K Joback Calculated Property
Tfus 694.04 K Joback Calculated Property
Vc 0.389 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [389.16; 441.49] J/mol×K [868.74; 1122.77] Show Hide
Cp,gas 389.16 J/mol×K 868.74 Joback Calculated Property
Cp,gas 397.93 J/mol×K 911.08 Joback Calculated Property
Cp,gas 406.55 J/mol×K 953.42 Joback Calculated Property
Cp,gas 415.10 J/mol×K 995.75 Joback Calculated Property
Cp,gas 423.71 J/mol×K 1038.09 Joback Calculated Property
Cp,gas 432.47 J/mol×K 1080.43 Joback Calculated Property
Cp,gas 441.49 J/mol×K 1122.77 Joback Calculated Property

Similar Compounds

1,4-Naphthalenedione, 5,8-dihydroxy-. Juglone. Plumbagin. Quinapril desethyl 3Me (Quinaprilate 3Me). 5-Hydroxytryptophan, methyl, 2-PFP. (-)-Bunolol, PFB-TMS. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES. 7-acetyl-9-curassavoylheliotridine. 5-Hydroxytryptophan, methyl, 3-PFP. Quinapril Me. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. narwedine. 2,6-Methano-1,4(2h)-benzoxazocin-5(6h)-one,4(3h)-cyclohexyl-6-phenyl-. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. Quinapril desethyl - H2O Me (Quinaprilate - H2O Me).

Find more compounds similar to 1,4-Naphthalenedione, 2,5,8-trihydroxy-.

Sources

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