Found 1 result

Search term: 1134-04-9 (Found by approved synonym)
ChemSpider 2D Image | 2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine | C6Cl7N

2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine

  • Molecular FormulaC6Cl7N
  • Average mass334.242 Da
  • Monoisotopic mass330.785034 Da
  • ChemSpider ID63976

More details:

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

1134-04-9 [RN]
2,3,4,5-Tetrachlor-6-(trichlormethyl)pyridin [German] [ACD/IUPAC Name]
2,3,4,5-tetrachloro-6-(trichloromethyl)-Pyridine
2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine [ACD/IUPAC Name]
2,3,4,5-Tétrachloro-6-(trichlorométhyl)pyridine [French] [ACD/IUPAC Name]
214-481-1 [EINECS]
Pyridine, 2,3,4,5-tetrachloro-6-(trichloromethyl)- [ACD/Index Name]
[1134-04-9] [RN]
2,3,4,5-TETRACHLORO-6-TRICHLOROMETHYLPYRIDINE
2,3,4,5-tetrakis(chloranyl)-6-(trichloromethyl)pyridine
More...

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

BRN 0403665 [DBID]
EU-0033448 [DBID]
MFCD00186512 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 322.4±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.2±3.0 kJ/mol
    Flash Point: 178.4±12.1 °C
    Index of Refraction: 1.609
    Molar Refractivity: 63.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5): 5.00
    ACD/BCF (pH 5.5): 3737.38
    ACD/KOC (pH 5.5): 12555.61
    ACD/LogD (pH 7.4): 5.00
    ACD/BCF (pH 7.4): 3737.38
    ACD/KOC (pH 7.4): 12555.61
    Polar Surface Area: 13 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 52.3±3.0 dyne/cm
    Molar Volume: 181.8±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) =  5.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  320.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  116.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.36E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000664 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):  0.2361
       log Kow used: 5.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.8951 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.47E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.557E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.29  (KowWin est)
  Log Kaw used:  -3.578  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.868
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.8139
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.6883  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.2301  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2202
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5101
 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):  0.0885 Pa (0.000664 mm Hg)
  Log Koa (Koawin est  ): 8.868
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.39E-005 
       Octanol/air (Koa) model:  0.000181 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00122 
       Mackay model           :  0.0027 
       Octanol/air (Koa) model:  0.0143 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0029 E-12 cm3/molecule-sec
      Half-Life =  3739.907 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00196 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1760
      Log Koc:  3.246 

 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 = 3.370 (BCF = 2343)
       log Kow used: 5.29 (estimated)

 Volatilization from Water:
    Henry LC:  6.47E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      167.3  hours   (6.971 days)
    Half-Life from Model Lake :       1978  hours   (82.44 days)

 Removal In Wastewater Treatment:
    Total removal:              85.00  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    84.24  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.478           8.98e+004    1000       
   Water     3.41            4.32e+003    1000       
   Soil      65.3            8.64e+003    1000       
   Sediment  30.8            3.89e+004    0          
     Persistence Time: 6.6e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement