ChemSpider 2D Image | Silafluofen | C25H29FO2Si

Silafluofen

  • Molecular FormulaC25H29FO2Si
  • Average mass408.581 Da
  • Monoisotopic mass408.192078 Da
  • ChemSpider ID83448

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4-Ethoxyfenyl)(3-(3-fenoxy-4-fluorfenyl)propyl)dimethylsilaan [Dutch]
(4-Ethoxyphenyl)(3-(4-fluor-3-phenoxyphenyl)propyl)dimethylsilan [German]
(4-Ethoxyphenyl)(3-(4-fluor-3-phenoxyphenyl)propyl)dimethylsilan [Danish]
(4-Ethoxyphenyl)[3-(4-fluor-3-phenoxyphenyl)propyl]dimethylsilan [German] [ACD/IUPAC Name]
(4-Ethoxyphenyl)[3-(4-fluoro-3-phenoxyphenyl)propyl]dimethylsilane [ACD/IUPAC Name]
(4-Éthoxyphényl)[3-(4-fluoro-3-phénoxyphényl)propyl]diméthylsilane [French] [ACD/IUPAC Name]
(4-Etossifenil)(3-(3-fenossi-4-fluorofenil)propil)dimetilsilano [Italian]
(4-Etoxifenil)(3-(3-fenoxi-4-fluorofenil)propil)dimetilsilano [Spanish]
(4-Etoxifenil)(3-(3-fenoxi-4-fluorofenil)propil)dimetilsilano [Portuguese]
105024-66-6 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F4SX221ILG [DBID]
46026_RIEDEL [DBID]
HOE 084498 [DBID]
UNII:F4SX221ILG [DBID]
UNII-F4SX221ILG [DBID]
  • Miscellaneous
    • Chemical Class:

      An organosilicon compound that is dimethylsilane in which one of the hydrogens attached to the silicon is replaced by a 4-ethoxyphenyl group, while the other is replaced by a 3-(4-fluoro-3-phenoxyphen yl)propyl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39393, CHEBI:39393
      An organosilicon compound that is dimethylsilane in which one of the hydrogens attached to the silicon is replaced by a 4-ethoxyphenyl group, while the other is replaced by a 3-(4-fluoro-3-phenoxyphen yl)propyl group. It is an insecticide used to control soil-borne insects. ChEBI CHEBI:39393

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 484.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 246.8±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.63
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 392177.78
ACD/KOC (pH 5.5): 351065.16
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 392177.78
ACD/KOC (pH 7.4): 351065.16
Polar Surface Area: 18 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 375.2±5.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  8.99
    Log Kow (Exper. database match) =  8.20
       Exper. Ref:  Tomlin,C (1997)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  457.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  176.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.26E-007  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    VP  (exp database):  1.88E-08 mm Hg at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0002691
       log Kow used: 8.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.001 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1997)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00013722 mg/L
    Wat Sol (Exper. database match) =  0.00
       Exper. Ref:  TOMLIN,C (1997)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.88E-006  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 1.01E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.513E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.20  (exp database)
  Log Kaw used:  -3.384  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  11.584
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1896
   Biowin2 (Non-Linear Model)     :   0.0016
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7202  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.3623  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0968
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0174
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.51E-006 Pa (1.88E-008 mm Hg)
  Log Koa (Koawin est  ): 11.584
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.2 
       Octanol/air (Koa) model:  0.0942 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.977 
       Mackay model           :  0.99 
       Octanol/air (Koa) model:  0.883 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.6564 E-12 cm3/molecule-sec
      Half-Life =     0.270 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.237 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.984 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.864E+006
      Log Koc:  6.768 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.166 (BCF = 1466)
       log Kow used: 8.20 (expkow database)

 Volatilization from Water:
    Henry LC:  1.01E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      119.2  hours   (4.968 days)
    Half-Life from Model Lake :       1470  hours   (61.26 days)

 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0259          6.47         1000       
   Water     0.754           4.32e+003    1000       
   Soil      39.5            8.64e+003    1000       
   Sediment  59.7            3.89e+004    0          
     Persistence Time: 1.07e+004 hr




                    

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