ChemSpider 2D Image | Cyclopropylidenecyclopentane | C8H12

Cyclopropylidenecyclopentane

  • Molecular FormulaC8H12
  • Average mass108.181 Da
  • Monoisotopic mass108.093903 Da
  • ChemSpider ID483747

More details:

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

Cyclopentane, cyclopropylidene- [ACD/Index Name]
Cyclopropylidencyclopentan [German] [ACD/IUPAC Name]
Cyclopropylidenecyclopentane [ACD/IUPAC Name]
Cyclopropylidènecyclopentane [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 142.9±7.0 °C at 760 mmHg
Vapour Pressure: 6.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 36.4±0.8 kJ/mol
Flash Point: 19.7±13.0 °C
Index of Refraction: 1.572
Molar Refractivity: 34.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 172.93
ACD/KOC (pH 5.5): 1391.47
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 172.93
ACD/KOC (pH 7.4): 1391.47
Polar Surface Area: 0 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 104.9±3.0 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) =  3.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  144.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -29.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.66  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  13.75
       log Kow used: 3.94 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  52.088 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.28E-001  atm-m3/mole
   Group Method:   1.86E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.895E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.94  (KowWin est)
  Log Kaw used:  0.719  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.221
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6960
   Biowin2 (Non-Linear Model)     :   0.8134
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9601  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6917  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5087
   Biowin6 (MITI Non-Linear Model):   0.6946
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1160
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.7434
     BioHC Half-Life (days)     :  55.3803

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  819 Pa (6.14 mm Hg)
  Log Koa (Koawin est  ): 3.221
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.66E-009 
       Octanol/air (Koa) model:  4.08E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.32E-007 
       Mackay model           :  2.93E-007 
       Octanol/air (Koa) model:  3.27E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 113.3251 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.133 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   120.000000 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     13.752 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 2.13E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  540.1
      Log Koc:  2.732 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.336 (BCF = 216.7)
       log Kow used: 3.94 (estimated)

 Volatilization from Water:
    Henry LC:  0.0186 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.094  hours
    Half-Life from Model Lake :      99.15  hours   (4.131 days)

 Removal In Wastewater Treatment:
    Total removal:              89.54  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:    17.17  percent
    Total to Air:               72.28  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0773          0.208        1000       
   Water     24.8            360          1000       
   Soil      72.4            720          1000       
   Sediment  2.77            3.24e+003    0          
     Persistence Time: 249 hr

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