Chemical Properties of Plumbagin (CAS 481-42-5)

Plumbagin

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InChI
InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
InChI Key
VCMMXZQDRFWYSE-UHFFFAOYSA-N
Formula
C11H8O3
SMILES
CC1=CC(=O)c2c(O)cccc2C1=O
Molecular Weight1
188.18
CAS
481-42-5
Other Names
  • 1,4-Naphthalenedione, 5-hydroxy-2-methyl-
  • 1,4-Naphthoquinone, 5-hydroxy-2-methyl-
  • 2-Methyl-5-hydroxy-1,4-naphthoquinone
  • 2-Methyljuglone
  • 5-hydroxy-2-methyl-1,4-naphthalenedione
  • 5-hydroxy-2-methyl-1,4-naphthoquinone
  • NSC 236613
  • NSC 688284
  • Plumbaein
  • Plumbagine
  • Plumbagone
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Physical Properties

Property Value Unit Source
Δf -178.59 kJ/mol Joback Calculated Property
Δfgas -364.73 kJ/mol Joback Calculated Property
Δfus 18.50 kJ/mol Joback Calculated Property
Δvap 65.87 kJ/mol Joback Calculated Property
log10WS -2.51 Crippen Calculated Property
logPoct/wat 1.718 Crippen Calculated Property
McVol 135.940 ml/mol McGowan Calculated Property
Pc 4271.86 kPa Joback Calculated Property
Inp [1600.00; 1600.00]   Show Hide
Inp 1600.00 NIST
Inp 1600.00 NIST
Tboil 718.82 K Joback Calculated Property
Tc 987.06 K Joback Calculated Property
Tfus 532.77 K Joback Calculated Property
Vc 0.460 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [362.03; 424.10] J/mol×K [718.82; 987.06] Show Hide
Cp,gas 362.03 J/mol×K 718.82 Joback Calculated Property
Cp,gas 374.36 J/mol×K 763.53 Joback Calculated Property
Cp,gas 385.83 J/mol×K 808.23 Joback Calculated Property
Cp,gas 396.48 J/mol×K 852.94 Joback Calculated Property
Cp,gas 406.37 J/mol×K 897.65 Joback Calculated Property
Cp,gas 415.56 J/mol×K 942.36 Joback Calculated Property
Cp,gas 424.10 J/mol×K 987.06 Joback Calculated Property

Similar Compounds

Juglone. Menadione. 5-Hydroxytryptophan, methyl, 3-PFP. narwedine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. 11-Dehydroestradiol, TMS. 17A-11-Dehydroestradiol, TMS. Folic Acid. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Quinine, trimethylsilyl ether. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Oxymorphone, bis(trimethylsilyl) ether. N-Desmethylmirtazapine. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). xanthosine-5'-monophosphate, TMS.

Find more compounds similar to Plumbagin.

Mixtures

Sources

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