ChemSpider 2D Image | 1,3-Dichlorocyclopentane | C5H8Cl2


  • Molecular FormulaC5H8Cl2
  • Average mass139.023 Da
  • Monoisotopic mass138.000305 Da
  • ChemSpider ID477626

More details:

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

1,3-Dichlorcyclopentan [German] [ACD/IUPAC Name]
1,3-Dichlorocyclopentane [ACD/IUPAC Name]
1,3-Dichlorocyclopentane [French] [ACD/IUPAC Name]
Cyclopentane, 1,3-dichloro- [ACD/Index Name]
Cyclopentane, 1,3-dichloro-, cis-
Cyclopentane, 1,3-dichloro-, trans-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 185.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.5±3.0 kJ/mol
Flash Point: 74.3±13.9 °C
Index of Refraction: 1.473
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: 2.07
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.08
ACD/KOC (pH 5.5): 581.27
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.08
ACD/KOC (pH 7.4): 581.27
Polar Surface Area: 0 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 30.5±5.0 dyne/cm
Molar Volume: 116.7±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) =  3.05

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  149.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.01  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  211.9
       log Kow used: 3.05 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  586.63 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:   8.29E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.462E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.05  (KowWin est)
  Log Kaw used:  -0.292  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.342
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4586
   Biowin2 (Non-Linear Model)     :   0.0647
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5456  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4459  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3848
   Biowin6 (MITI Non-Linear Model):   0.0899
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5256
 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):  489 Pa (3.67 mm Hg)
  Log Koa (Koawin est  ): 3.342
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.13E-009 
       Octanol/air (Koa) model:  5.4E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.21E-007 
       Mackay model           :  4.9E-007 
       Octanol/air (Koa) model:  4.32E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.0344 E-12 cm3/molecule-sec
      Half-Life =     5.257 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    63.089 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.56E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  235.3
      Log Koc:  2.372 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.642E-015  L/mol-sec
  Kb Half-Life at pH 8: 1.338E+013  years  
  Kb Half-Life at pH 7: 1.338E+014  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.645 (BCF = 44.16)
       log Kow used: 3.05 (estimated)

 Volatilization from Water:
    Henry LC:  8.29E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      9.531  hours
    Half-Life from Model Lake :      202.8  hours   (8.452 days)

 Removal In Wastewater Treatment:
    Total removal:               9.94  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.87  percent
    Total to Air:                3.95  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.03            126          1000       
   Water     15.9            900          1000       
   Soil      80.6            1.8e+003     1000       
   Sediment  0.406           8.1e+003     0          
     Persistence Time: 941 hr


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