ChemSpider 2D Image | Iodocyclopentane | C5H9I


  • Molecular FormulaC5H9I
  • Average mass196.029 Da
  • Monoisotopic mass195.974884 Da
  • ChemSpider ID66422

More details:

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

Cyclopentane, iodo- [ACD/Index Name]
Iodcyclopentan [German] [ACD/IUPAC Name]
Iodocyclopentane [ACD/IUPAC Name]
Iodocyclopentane [French] [ACD/IUPAC Name]
1556-18-9 [RN]
216-311-1 [EINECS]
Cyclopentyl iodide

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

MFCD00039446 [DBID]
NSC 6071 [DBID]
NSC6071 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 166.5±9.0 °C at 760 mmHg
Vapour Pressure: 2.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.6±3.0 kJ/mol
Flash Point: 66.7±13.1 °C
Index of Refraction: 1.553
Molar Refractivity: 36.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.41
ACD/KOC (pH 5.5): 888.52
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.41
ACD/KOC (pH 7.4): 888.52
Polar Surface Area: 0 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 35.1±5.0 dyne/cm
Molar Volume: 112.7±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) =  3.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  165.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -37.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.45  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  166.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  60.78
       log Kow used: 3.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  409.59 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.53E-003  atm-m3/mole
   Group Method:   2.62E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.040E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.37  (KowWin est)
  Log Kaw used:  -0.512  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.882
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6542
   Biowin2 (Non-Linear Model)     :   0.5560
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7660  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5649  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2203
   Biowin6 (MITI Non-Linear Model):   0.0897
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3955
 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):  299 Pa (2.24 mm Hg)
  Log Koa (Koawin est  ): 3.882
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1E-008 
       Octanol/air (Koa) model:  1.87E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.63E-007 
       Mackay model           :  8.04E-007 
       Octanol/air (Koa) model:  1.5E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.5836 E-12 cm3/molecule-sec
      Half-Life =     2.985 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    35.816 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.83E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  145.3
      Log Koc:  2.162 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.968E-013  L/mol-sec
  Kb Half-Life at pH 8: 7.400E+010  years  
  Kb Half-Life at pH 7: 7.400E+011  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.894 (BCF = 78.42)
       log Kow used: 3.37 (estimated)

 Volatilization from Water:
    Henry LC:  0.00262 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.742  hours
    Half-Life from Model Lake :      136.4  hours   (5.683 days)

 Removal In Wastewater Treatment:
    Total removal:              54.76  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     7.77  percent
    Total to Air:               46.89  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.03            71.6         1000       
   Water     19.6            360          1000       
   Soil      70.7            720          1000       
   Sediment  0.669           3.24e+003    0          
     Persistence Time: 330 hr


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