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Search term: 719-96-0 (Found by approved synonym)
ChemSpider 2D Image | Fluorfolpet | C9H4Cl2FNO2S

Fluorfolpet

  • Molecular FormulaC9H4Cl2FNO2S
  • Average mass280.103 Da
  • Monoisotopic mass278.932373 Da
  • ChemSpider ID62954

More details:

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

Fluor-folpet
1H-Isoindole-1,3(2H)-dione, 2-((dichlorofluoromethyl)thio)-
1H-Isoindole-1,3(2H)-dione, 2-[(dichlorofluoromethyl)thio]- [ACD/Index Name]
2-{[Dichlor(fluor)methyl]sulfanyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{[Dichloro(fluoro)methyl]sulfanyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{[Dichloro(fluoro)méthyl]sulfanyl}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
211-952-3 [EINECS]
719-96-0 [RN]
Fluorfolpet
FLUOROFOLPET
More...

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

JLQ9WCA0M7 [DBID]
Caswell No. 309AA [DBID]
EPA Pesticide Chemical Code 309300 [DBID]
UNII:JLQ9WCA0M7 [DBID]
UNII-JLQ9WCA0M7 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 311.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 142.0±30.7 °C
Index of Refraction: 1.661
Molar Refractivity: 60.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.00
ACD/KOC (pH 5.5): 564.21
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.00
ACD/KOC (pH 7.4): 564.21
Polar Surface Area: 63 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 163.7±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) =  2.53

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  431.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  180.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.38E-008  (Modified Grain method)
    Subcooled liquid VP: 1.41E-006 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  110.2
       log Kow used: 2.53 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  73.147 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.69E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.130E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.53  (KowWin est)
  Log Kaw used:  -6.449  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.979
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2075
   Biowin2 (Non-Linear Model)     :   0.0017
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0217  (months      )
   Biowin4 (Primary Survey Model) :   3.0890  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0011
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0908
 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):  0.000188 Pa (1.41E-006 mm Hg)
  Log Koa (Koawin est  ): 8.979
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.016 
       Octanol/air (Koa) model:  0.000234 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.366 
       Mackay model           :  0.561 
       Octanol/air (Koa) model:  0.0184 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.7492 E-12 cm3/molecule-sec
      Half-Life =     0.679 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.150 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.463 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  143.9
      Log Koc:  2.158 

 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 = 1.249 (BCF = 17.75)
       log Kow used: 2.53 (estimated)

 Volatilization from Water:
    Henry LC:  8.69E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.128E+005  hours   (4698 days)
    Half-Life from Model Lake :  1.23E+006  hours   (5.126E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               3.18  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.08  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       0.0691          16.3         1000       
   Water     15.2            1.44e+003    1000       
   Soil      84.6            2.88e+003    1000       
   Sediment  0.138           1.3e+004     0          
     Persistence Time: 2.15e+003 hr

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