Chemical Properties of Triadimenol

Triadimenol

InChI
InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
InChI Key
BAZVSMNPJJMILC-UHFFFAOYSA-N
Formula
C14H18ClN3O2
SMILES
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1
Molecular Weight1
295.77
Other Names
  • Baytan
  • Bayfidan
  • Ethanol, 2-(4-chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)-
  • 1H-1,2,4-Triazole-1-ethanol, «beta»-(4-chlorophenoxy)-«alpha»-(1,1-dimethylethyl)-
  • BAY KWG 0519
  • 2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol
  • «beta»-(4-Chlorophenoxy)-«alpha»-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
  • Summit
  • Spinnaker
  • Bayfidan EW
  • Baytan 15
  • Baytan TF 3479B
  • KWG 0519
  • UK 199
  • Triadimenol, isomer 2
  • Triadimenol (2)
  • Triadimenol, isomer 1
  • Triadimenol (1)
  • «alpha»-tert-butyl-«beta»-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol
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Physical Properties

Property Value Unit Source
log10WS -3.36 Relay (1.0) Calculated Property
logPoct/wat 2.916 Crippen Calculated Property
McVol 218.820 ml/mol McGowan Calculated Property
Inp [2023.00; 2104.00]   Show Hide
Inp 2050.00 NIST
Inp 2069.00 NIST
Inp 2076.00 NIST
Inp 2084.00 NIST
Inp 2023.00 NIST
Inp 2095.00 NIST
Inp 2088.00 NIST
Inp 2104.00 NIST
Inp 2050.00 NIST
Inp 2023.00 NIST
Tfus 380.99 ± 0.20 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 24.47 kJ/mol 377.80 NIST

Similar Compounds

Bitertanol, isomer 2. BITERTANOL. Bitertanol, isomer 1. 3,3-Dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol, trimethylsilyl ether. Ceftazidime. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-(trimethylsilyl)-, (5«alpha»,6«alpha»)-. Neopine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Ergocristine. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 6-O,N-Diacetylnorcodeine. DIHYDROERGOTAMINE. Deserpidine. ERGOTAMINE.

Find more compounds similar to Triadimenol.

Sources

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