ChemSpider 2D Image | dichlormid | C8H11Cl2NO

dichlormid

  • Molecular FormulaC8H11Cl2NO
  • Average mass208.085 Da
  • Monoisotopic mass207.021774 Da
  • ChemSpider ID34686

More details:

Featured data source
The Merck Index Online

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

1768843 [Beilstein]
2,2-Dichloro-N,N-di(2-propèn-1-yl)acétamide
2,2-dichloro-N,N-di(prop-2-en-1-yl)acetamide
2,2-Dichloro-N,N-di-2-propenylacetamide
2,2-Dichloro-N,N-diprop-2-en-1-ylacetamide
253-658-8 [EINECS]
37764-25-3 [RN]
Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl- [ACD/Index Name]
Acetamide, N,N-diallyl-2,2-dichloro-
dichlormid [BSI] [ISO]
More...

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

R 25788 [DBID]
BRN 1768843 [DBID]
R-25788 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 253.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 107.3±27.3 °C
Index of Refraction: 1.495
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.59
ACD/KOC (pH 5.5): 324.20
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.59
ACD/KOC (pH 7.4): 324.20
Polar Surface Area: 20 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 178.3±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) =  2.28
    Log Kow (Exper. database match) =  1.84
       Exper. Ref:  Tomlin,C (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  282.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  56.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00503  (Modified Grain method)
    MP  (exp database):  5.5 deg C
    BP  (exp database):  130 @ 10 mm Hg deg C
    VP  (exp database):  6.00E-03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1067
       log Kow used: 1.84 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5000 mg/L (20 deg C)
        Exper. Ref:  SHIU,WY ET AL. (1990)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2662.2 mg/L
    Wat Sol (Exper. database match) =  5000.00
       Exper. Ref:  SHIU,WY ET AL. (1990)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.15E-008  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 3.29E-07  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.291E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.84  (exp database)
  Log Kaw used:  -4.871  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.711
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6359
   Biowin2 (Non-Linear Model)     :   0.2768
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3388  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5517  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3072
   Biowin6 (MITI Non-Linear Model):   0.0500
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3161
 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):  0.8 Pa (0.006 mm Hg)
  Log Koa (Koawin est  ): 6.711
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.75E-006 
       Octanol/air (Koa) model:  1.26E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000135 
       Mackay model           :  0.0003 
       Octanol/air (Koa) model:  0.000101 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  75.4689 E-12 cm3/molecule-sec
      Half-Life =     0.142 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.701 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.400000 E-17 cm3/molecule-sec
      Half-Life =     0.477 Days (at 7E11 mol/cm3)
      Half-Life =     11.460 Hrs
   Fraction sorbed to airborne particulates (phi): 0.000218 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  360.7
      Log Koc:  2.557 

 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 = 0.717 (BCF = 5.21)
       log Kow used: 1.84 (expkow database)

 Volatilization from Water:
    Henry LC:  3.29E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       2569  hours   (107 days)
    Half-Life from Model Lake : 2.814E+004  hours   (1173 days)

 Removal In Wastewater Treatment:
    Total removal:               2.14  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.03  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       0.166           2.62         1000       
   Water     34.2            900          1000       
   Soil      65.5            1.8e+003     1000       
   Sediment  0.111           8.1e+003     0          
     Persistence Time: 763 hr

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