Chemical Properties of Myclobutanil (CAS 88671-89-0)

Myclobutanil

InChI
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
InChI Key
HZJKXKUJVSEEFU-UHFFFAOYSA-N
Formula
C15H17ClN4
SMILES
CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1
Molecular Weight1
288.77
CAS
88671-89-0
Other Names
  • .alpha.-butyl-.alpha.-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
  • 1H-1,2,4-Triazole-1-propanenitrile, «alpha»-butyl-«alpha»-(4-chlorophenyl)-
  • 2-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile
  • Nova
  • RH-3866
  • Rally
  • Systhane
  • a-butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
  • «alpha»-butyl-«alpha»-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
  • «alpha»-butyl-«alpha»-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile (myclobutanil)
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Physical Properties

Property Value Unit Source
ω 0.6726 Relay (1.0) Calculated Property
ΔfG° 467.03 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 313.86 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 104.17 kJ/mol Relay (1.0) Calculated Property
IE 9.12 eV Relay (1.0) Calculated Property
log10WS -5.00 Relay (1.0) Calculated Property
logPoct/wat 3.583 Crippen Calculated Property
McVol 222.550 ml/mol McGowan Calculated Property
Pc 2175.34 kPa Relay (1.0-beta) Calculated Property
Inp [2198.00; 2210.00]   Show Hide
Inp 2210.00 NIST
Inp 2210.00 NIST
Inp 2198.00 NIST
Inp 2198.00 NIST
Tboil 640.72 K Relay (1.0) Calculated Property
Tc 920.82 K Relay (1.0) Calculated Property
Tfus 343.45 K Crystal structure and thermodynamic properties of myclobutanil
Vc 0.793 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 30.93 kJ/mol 348.80 NIST

Similar Compounds

Fenbuconazole. azadirachtin. (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate. [2H3]Dihydrozeatin nucleotide, permethylated. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Myclobutanil.

Sources

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