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Search term: JDZSMXLTQNHBRF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | dichlozoline | C11H9Cl2NO3

dichlozoline

  • Molecular FormulaC11H9Cl2NO3
  • Average mass274.100 Da
  • Monoisotopic mass272.995941 Da
  • ChemSpider ID29909

More details:

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

2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5,5-dimethyl- [ACD/Index Name]
24201-58-9 [RN]
3-(3,5-Dichlorophenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione [ACD/IUPAC Name]
3-(3,5-Dichlorophényl)-5,5-diméthyl-1,3-oxazolidine-2,4-dione [French] [ACD/IUPAC Name]
3-(3,5-Dichlorophenyl)-5,5-dimethyloxazolidine-2,4-dione
3-(3,5-Dichlorphenyl)-5,5-dimethyl-1,3-oxazolidin-2,4-dion [German] [ACD/IUPAC Name]
dichlozoline
2,4-Oxazolidinedione, 3-(3,4-dichlorophenyl)-5,5-dimethyl-
3-(3,5-Dichlorophenyl)-5,5-dimethyl oxazolidine-dione-2,4
3-(3,5-Dichlorophenyl)-5,5-dimethyl oxazoline-dione-2,4
More...

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

X239025ISS [DBID]
BRN 0989757 [DBID]
Caswell No. 328A [DBID]
CCRIS 658 [DBID]
CS 8890 [DBID]
EPA Pesticide Chemical Code 328200 [DBID]
Ortho 8890 [DBID]
UNII:X239025ISS [DBID]
UNII-X239025ISS [DBID]
ZINC02014841 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 359.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 171.4±30.7 °C
Index of Refraction: 1.574
Molar Refractivity: 62.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.33
ACD/KOC (pH 5.5): 982.40
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.33
ACD/KOC (pH 7.4): 982.40
Polar Surface Area: 47 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 190.3±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) =  2.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  436.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  182.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.47E-008  (Modified Grain method)
    Subcooled liquid VP: 1.09E-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):  89.47
       log Kow used: 2.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.5398 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.38E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.957E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.68  (KowWin est)
  Log Kaw used:  -4.012  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.692
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0683
   Biowin2 (Non-Linear Model)     :   0.0013
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9681  (months      )
   Biowin4 (Primary Survey Model) :   2.9682  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0021
   Biowin6 (MITI Non-Linear Model):   0.0065
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7481
 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):  0.000145 Pa (1.09E-006 mm Hg)
  Log Koa (Koawin est  ): 6.692
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0206 
       Octanol/air (Koa) model:  1.21E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.427 
       Mackay model           :  0.623 
       Octanol/air (Koa) model:  9.66E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.2052 E-12 cm3/molecule-sec
      Half-Life =     1.484 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.814 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.525 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  145.5
      Log Koc:  2.163 

 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 = 1.362 (BCF = 23.01)
       log Kow used: 2.68 (estimated)

 Volatilization from Water:
    Henry LC:  2.38E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        409  hours   (17.04 days)
    Half-Life from Model Lake :       4600  hours   (191.7 days)

 Removal In Wastewater Treatment:
    Total removal:               3.85  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.61  percent
    Total to Air:                0.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.448           35.6         1000       
   Water     15.9            1.44e+003    1000       
   Soil      83.5            2.88e+003    1000       
   Sediment  0.195           1.3e+004     0          
     Persistence Time: 1.76e+003 hr

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