ChemSpider 2D Image | 1,1-Dichlorocyclopentane | C5H8Cl2

1,1-Dichlorocyclopentane

  • Molecular FormulaC5H8Cl2
  • Average mass139.023 Da
  • Monoisotopic mass138.000305 Da
  • ChemSpider ID477811

More details:






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

1,1-Dichlorcyclopentan [German] [ACD/IUPAC Name]
1,1-Dichlorocyclopentane [ACD/IUPAC Name]
1,1-Dichlorocyclopentane [French] [ACD/IUPAC Name]
Cyclopentane, 1,1-dichloro- [ACD/Index Name]
29297-40-3 [RN]
31038-06-9 [RN]
cyclopentane, dichloro-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 161.8±13.0 °C at 760 mmHg
Vapour Pressure: 2.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.2±3.0 kJ/mol
Flash Point: 55.4±13.4 °C
Index of Refraction: 1.478
Molar Refractivity: 32.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.67
ACD/KOC (pH 5.5): 1017.48
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.67
ACD/KOC (pH 7.4): 1017.48
Polar Surface Area: 0 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 31.6±5.0 dyne/cm
Molar Volume: 115.9±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) =  3.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  119.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -38.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  15.7  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  195.6
       log Kow used: 3.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  277.29 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.25E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.468E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.09  (KowWin est)
  Log Kaw used:  -0.292  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.382
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2746
   Biowin2 (Non-Linear Model)     :   0.0122
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3335  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2925  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4472
   Biowin6 (MITI Non-Linear Model):   0.1945
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0075
 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+003 Pa (14.6 mm Hg)
  Log Koa (Koawin est  ): 3.382
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.54E-009 
       Octanol/air (Koa) model:  5.92E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.57E-008 
       Mackay model           :  1.23E-007 
       Octanol/air (Koa) model:  4.73E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.1763 E-12 cm3/molecule-sec
      Half-Life =     4.915 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    58.976 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.95E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  213.2
      Log Koc:  2.329 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.838E-015  L/mol-sec
  Kb Half-Life at pH 8: 1.195E+013  years  
  Kb Half-Life at pH 7: 1.195E+014  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.676 (BCF = 47.46)
       log Kow used: 3.09 (estimated)

 Volatilization from Water:
    Henry LC:  0.0125 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.258  hours
    Half-Life from Model Lake :      112.6  hours   (4.692 days)

 Removal In Wastewater Treatment:
    Total removal:              83.42  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     3.61  percent
    Total to Air:               79.77  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       25.1            118          1000       
   Water     38.1            900          1000       
   Soil      35.8            1.8e+003     1000       
   Sediment  1.06            8.1e+003     0          
     Persistence Time: 209 hr




                    

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