ChemSpider 2D Image | 1,1-Dichlorocyclopropane | C3H4Cl2

1,1-Dichlorocyclopropane

  • Molecular FormulaC3H4Cl2
  • Average mass110.970 Da
  • Monoisotopic mass109.969009 Da
  • ChemSpider ID67525

More details:






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

1,1-Dichlorcyclopropan [German] [ACD/IUPAC Name]
1,1-Dichlorocyclopropane [ACD/IUPAC Name]
1,1-Dichlorocyclopropane [French] [ACD/IUPAC Name]
2088-35-9 [RN]
218-231-2 [EINECS]
Cyclopropane, 1,1-dichloro- [ACD/Index Name]
"1,1-DICHLOROCYCLOPROPANE"|"1,1-DICHLOROCYCLOPROPANE"
93174-83-5 [RN]
CYCLOPROPANE,1,1-DICHLORO-
dichlorocyclopropane
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 109.3±13.0 °C at 760 mmHg
Vapour Pressure: 29.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.4±3.0 kJ/mol
Flash Point: 33.0±13.4 °C
Index of Refraction: 1.485
Molar Refractivity: 23.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.96
ACD/KOC (pH 5.5): 217.77
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.96
ACD/KOC (pH 7.4): 217.77
Polar Surface Area: 0 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 31.3±5.0 dyne/cm
Molar Volume: 82.3±5.0 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) =  2.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  66.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  149  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1724
       log Kow used: 2.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1015.6 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.10E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.262E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.10  (KowWin est)
  Log Kaw used:  -0.537  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.637
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2880
   Biowin2 (Non-Linear Model)     :   0.0181
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3955  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3330  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4912
   Biowin6 (MITI Non-Linear Model):   0.2527
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2325
 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):  1.95E+004 Pa (146 mm Hg)
  Log Koa (Koawin est  ): 2.637
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.54E-010 
       Octanol/air (Koa) model:  1.06E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.57E-009 
       Mackay model           :  1.23E-008 
       Octanol/air (Koa) model:  8.51E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0115 E-12 cm3/molecule-sec
      Half-Life =   931.041 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.95E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  62.68
      Log Koc:  1.797 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.916E-016  L/mol-sec
  Kb Half-Life at pH 8: 1.146E+014  years  
  Kb Half-Life at pH 7: 1.146E+015  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.920 (BCF = 8.318)
       log Kow used: 2.10 (estimated)

 Volatilization from Water:
    Henry LC:  0.0071 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.162  hours
    Half-Life from Model Lake :        101  hours   (4.209 days)

 Removal In Wastewater Treatment:
    Total removal:              73.82  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.00  percent
    Total to Air:               72.78  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       46.2            2.23e+004    1000       
   Water     43.9            900          1000       
   Soil      9.75            1.8e+003     1000       
   Sediment  0.192           8.1e+003     0          
     Persistence Time: 184 hr




                    

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