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

1,2-Dichlorocyclopropane

  • Molecular FormulaC3H4Cl2
  • Average mass110.970 Da
  • Monoisotopic mass109.969009 Da
  • ChemSpider ID10644328

More details:






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

1,2-Dichlorcyclopropan [German] [ACD/IUPAC Name]
1,2-Dichlorocyclopropane [ACD/IUPAC Name]
1,2-Dichlorocyclopropane [French] [ACD/IUPAC Name]
Cyclopropane, 1,2-dichloro- [ACD/Index Name]
CYCLOPROPANE, 1,2-DICHLORO-, TRANS-
cyclopropane, 1,3-dichloro-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 130.8±15.0 °C at 760 mmHg
Vapour Pressure: 11.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.3±3.0 kJ/mol
Flash Point: 50.0±13.9 °C
Index of Refraction: 1.478
Molar Refractivity: 23.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.45
ACD/KOC (pH 5.5): 186.75
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.45
ACD/KOC (pH 7.4): 186.75
Polar Surface Area: 0 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 29.9±5.0 dyne/cm
Molar Volume: 83.1±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) =  2.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  99.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -65.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  38  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1868
       log Kow used: 2.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2148.6 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:   4.15E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.970E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.06  (KowWin est)
  Log Kaw used:  -0.537  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.597
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4719
   Biowin2 (Non-Linear Model)     :   0.0934
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6076  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4864  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4288
   Biowin6 (MITI Non-Linear Model):   0.1215
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7657
 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):  4.81E+003 Pa (36.1 mm Hg)
  Log Koa (Koawin est  ): 2.597
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.23E-010 
       Octanol/air (Koa) model:  9.71E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.25E-008 
       Mackay model           :  4.99E-008 
       Octanol/air (Koa) model:  7.76E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0155 E-12 cm3/molecule-sec
      Half-Life =   691.035 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.62E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  70.62
      Log Koc:  1.849 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.771E-011  L/mol-sec
  Kb Half-Life at pH 8: 1.240E+009  years  
  Kb Half-Life at pH 7: 1.240E+010  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.889 (BCF = 7.74)
       log Kow used: 2.06 (estimated)

 Volatilization from Water:
    Henry LC:  4.15E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      15.94  hours
    Half-Life from Model Lake :      262.2  hours   (10.92 days)

 Removal In Wastewater Treatment:
    Total removal:               4.45  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.17  percent
    Total to Air:                2.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.29            1.66e+004    1000       
   Water     28.2            900          1000       
   Soil      65.3            1.8e+003     1000       
   Sediment  0.117           8.1e+003     0          
     Persistence Time: 723 hr




                    

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