Chemical Properties of Bitertanol (CAS 55179-31-2)

Bitertanol

InChI
InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
InChI Key
VGPIBGGRCVEHQZ-UHFFFAOYSA-N
Formula
C20H23N3O2
SMILES
CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1
Molecular Weight1
337.42
CAS
55179-31-2
Other Names
  • 1H-1,2,4-Triazole-1-ethanol, «beta»-([1,1'-biphenyl]-4-yloxy)-«alpha»-(1,1-dimethylethyl)-
  • Baycor
  • Baymat-spray
  • Biloxazol
  • «beta»-((1,1'-Biphenyl)-4-yloxy)-«alpha»-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
  • KWG 0599
  • Sibutol
  • BAY KWG 0599
  • 1-([1,1'-Biphenyl]-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol
  • Baycor 25 WP
  • «beta»-([1,1'-biphenyl]-4-yloxy)-«alpha»-tert-butyl-1H-1,2,4-triazol-1-ethanol
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Physical Properties

Property Value Unit Source
ω 0.8108 Relay (1.0) Calculated Property
ΔfG° 309.28 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -22.07 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 135.71 kJ/mol Relay (1.0) Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
log10WS -4.25 Relay (1.0) Calculated Property
logPoct/wat 3.930 Crippen Calculated Property
McVol 267.360 ml/mol McGowan Calculated Property
Pc 1863.27 kPa Relay (1.0-beta) Calculated Property
Tboil 703.64 K Relay (1.0) Calculated Property
Tc 1019.10 K Relay (1.0) Calculated Property
Tfus 427.93 K Relay (1.0) Calculated Property
Vc 0.975 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Bitertanol, isomer 2. Bitertanol, isomer 1. Triadimenol. 3,3-Dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol, trimethylsilyl ether. Riboflavin, 2',3',4',5'-tetrapropanoate. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Deserpidine. Dihydroergokryptine. uridine-2'(3')-monophosphate, TMS. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). 3-propionyl-morphine. Brucine.

Find more compounds similar to Bitertanol.

Sources

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