Found 1 result

Search term: 62476-62-4 (Found by approved synonym)
ChemSpider 2D Image | a,a,2-Trichloro-6-fluorotoluene | C7H4Cl3F

a,a,2-Trichloro-6-fluorotoluene

  • Molecular FormulaC7H4Cl3F
  • Average mass213.464 Da
  • Monoisotopic mass211.936264 Da
  • ChemSpider ID522461

More details:

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

1-Chlor-2-(dichlormethyl)-3-fluorbenzol [German] [ACD/IUPAC Name]
1-Chloro-2-(dichloromethyl)-3-fluorobenzene [ACD/IUPAC Name]
1-Chloro-2-(dichlorométhyl)-3-fluorobenzène [French] [ACD/IUPAC Name]
263-562-8 [EINECS]
62476-62-4 [RN]
a,a,2-Trichloro-6-fluorotoluene
Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro- [ACD/Index Name]
[62476-62-4] [RN]
1-Chlor-2-(dichlormethyl)-3-fluorbenzol
2-(dichloromethyl)-3-chloro-1-fluorobenzene
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 225.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.3±3.0 kJ/mol
Flash Point: 99.7±19.4 °C
Index of Refraction: 1.542
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 307.63
ACD/KOC (pH 5.5): 2101.54
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.63
ACD/KOC (pH 7.4): 2101.54
Polar Surface Area: 0 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 145.4±3.0 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) =  3.82

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  230.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0766  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  20.38
       log Kow used: 3.82 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  31.859 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.38E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.056E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.82  (KowWin est)
  Log Kaw used:  -1.584  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.404
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.5693
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7675  (months      )
   Biowin4 (Primary Survey Model) :   3.1867  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1177
   Biowin6 (MITI Non-Linear Model):   0.0002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1513
 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):  9.63 Pa (0.0722 mm Hg)
  Log Koa (Koawin est  ): 5.404
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.12E-007 
       Octanol/air (Koa) model:  6.22E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.13E-005 
       Mackay model           :  2.49E-005 
       Octanol/air (Koa) model:  4.98E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.3956 E-12 cm3/molecule-sec
      Half-Life =     7.664 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    91.968 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.81E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2234
      Log Koc:  3.349 

 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 = 2.241 (BCF = 174.2)
       log Kow used: 3.82 (estimated)

 Volatilization from Water:
    Henry LC:  0.000638 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.832  hours
    Half-Life from Model Lake :      153.4  hours   (6.392 days)

 Removal In Wastewater Treatment:
    Total removal:              37.58  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    20.36  percent
    Total to Air:               17.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.05            184          1000       
   Water     7.8             1.44e+003    1000       
   Soil      87.7            2.88e+003    1000       
   Sediment  1.5             1.3e+004     0          
     Persistence Time: 1.34e+003 hr

Click to predict properties on the Chemicalize site


Advertisement