ChemSpider 2D Image | CHLORDIMEFORM | C10H13ClN2


  • Molecular FormulaC10H13ClN2
  • Average mass196.677 Da
  • Monoisotopic mass196.076721 Da
  • ChemSpider ID10468746

More details:

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

228-200-5 [EINECS]
6164-98-3 [RN]
Chlordimeforme [French]
chlordiméforme [French]

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

C 8514 [DBID]
Caswell No. 174A [DBID]
ENT 27335 [DBID]
ENT 27567 [DBID]
HSDB 1537 [DBID]
OMS 1209 [DBID]
RS 141 [DBID]
SN 36268 [DBID]
AI3-27335 [DBID]
BRN 2088124 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 292.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 130.8±30.1 °C
Index of Refraction: 1.522
Molar Refractivity: 57.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 11.84
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 21.76
ACD/KOC (pH 7.4): 213.66
Polar Surface Area: 16 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 32.2±7.0 dyne/cm
Molar Volume: 187.2±7.0 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) =  2.89
    Log Kow (Exper. database match) =  2.89
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  265.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  40.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0098  (Modified Grain method)
    MP  (exp database):  35 deg C
    BP  (exp database):  156-157 @ 0.4 mm Hg deg C
    VP  (exp database):  9.23E-04 mm Hg at 25 deg C
    Subcooled liquid VP: 0.00116 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1577
       log Kow used: 2.89 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  270 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14949 mg/L
    Wat Sol (Exper. database match) =  270.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.94E-007  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 3.45E-07  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.608E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.89  (exp database)
  Log Kaw used:  -4.851  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.741
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5262
   Biowin2 (Non-Linear Model)     :   0.2275
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4831  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3301  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1495
   Biowin6 (MITI Non-Linear Model):   0.0593
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5492
 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):  0.155 Pa (0.00116 mm Hg)
  Log Koa (Koawin est  ): 7.741
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.94E-005 
       Octanol/air (Koa) model:  1.35E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0007 
       Mackay model           :  0.00155 
       Octanol/air (Koa) model:  0.00108 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  90.6357 E-12 cm3/molecule-sec
      Half-Life =     0.118 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.416 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00112 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3092
      Log Koc:  3.490 

 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 = 1.525 (BCF = 33.52)
       log Kow used: 2.89 (expkow database)

 Volatilization from Water:
    Henry LC:  3.45E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       2381  hours   (99.23 days)
    Half-Life from Model Lake :  2.61E+004  hours   (1087 days)

 Removal In Wastewater Treatment:
    Total removal:               4.88  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.74  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.126           2.83         1000       
   Water     19.9            900          1000       
   Soil      79.6            1.8e+003     1000       
   Sediment  0.357           8.1e+003     0          
     Persistence Time: 1.02e+003 hr


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