Chemical Properties of Zearalenone (CAS 18695-28-8)

Zearalenone

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InChI
InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m1/s1
InChI Key
MBMQEIFVQACCCH-QDBLGGKGSA-N
Formula
C18H22O5
SMILES
CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1
Molecular Weight1
318.36
CAS
18695-28-8
Other Names
  • 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, [S-(E)]-
  • 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (S)-(-)-
  • (S)-Zearalenone
  • trans-Zearalenone
  • Compound F-2
  • FES
  • Mycotoxin F 2
  • Toxin F2
  • 14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione-, [S-(E)]-
  • (-)-Zearalenone
  • (10S)-Zearalenone
  • (S)-(-)-Zearalenone
  • 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-
  • 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-«beta»-resorcylic acid lactone
  • Zenone
  • [S-(E)]-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione
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Physical Properties

Property Value Unit Source
Δf -455.27 kJ/mol Joback Calculated Property
Δfgas -876.67 kJ/mol Joback Calculated Property
Δfus 35.05 kJ/mol Joback Calculated Property
Δvap 99.39 kJ/mol Joback Calculated Property
log10WS -4.27 Crippen Calculated Property
logPoct/wat 3.580 Crippen Calculated Property
McVol 246.310 ml/mol McGowan Calculated Property
Pc 2829.33 kPa Joback Calculated Property
Inp [2867.00; 2867.00]   Show Hide
Inp 2867.00 NIST
Inp 2867.00 NIST
Tboil 1011.06 K Joback Calculated Property
Tc 1296.07 K Joback Calculated Property
Tfus 705.03 K Joback Calculated Property
Vc 0.773 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [856.96; 905.60] J/mol×K [1011.06; 1296.07] Show Hide
Cp,gas 856.96 J/mol×K 1011.06 Joback Calculated Property
Cp,gas 870.56 J/mol×K 1058.56 Joback Calculated Property
Cp,gas 881.90 J/mol×K 1106.06 Joback Calculated Property
Cp,gas 891.02 J/mol×K 1153.57 Joback Calculated Property
Cp,gas 897.99 J/mol×K 1201.07 Joback Calculated Property
Cp,gas 902.83 J/mol×K 1248.57 Joback Calculated Property
Cp,gas 905.60 J/mol×K 1296.07 Joback Calculated Property

Similar Compounds

Zearalenone bis(trifluoroacetate). Zearalenone, bis(pentafluoropropionate). Zearalenone, bis(tert-butyldimethylsilyl) ether. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Benazepril Me. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. risperidone. 5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-. Ajmaline. Galantamin. 3-propionyl-morphine. Brucine.

Find more compounds similar to Zearalenone.

Sources

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