ChemSpider 2D Image | ethylene, 1,1-dicyclopropyl- | C8H12

ethylene, 1,1-dicyclopropyl-

  • Molecular FormulaC8H12
  • Average mass108.181 Da
  • Monoisotopic mass108.093903 Da
  • ChemSpider ID63169

More details:

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

1,1'-(1,1-Ethendiyl)dicyclopropan [German] [ACD/IUPAC Name]
1,1'-(1,1-Ethenediyl)dicyclopropane [ACD/IUPAC Name]
1,1'-(1,1-Éthènediyl)dicyclopropane [French] [ACD/IUPAC Name]
1,1'-Ethene-1,1-diyldicyclopropane
1,1'-vinylidenebiscyclopropane
212-508-1 [EINECS]
822-93-5 [RN]
Cyclopropane, 1,1'-ethenylidenebis- [ACD/Index Name]
ethylene, 1,1-dicyclopropyl-
(1-cyclopropylethenyl)cyclopropane
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 128.6±7.0 °C at 760 mmHg
Vapour Pressure: 12.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 35.1±0.8 kJ/mol
Flash Point: 23.3±0.0 °C
Index of Refraction: 1.550
Molar Refractivity: 34.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.18
ACD/KOC (pH 5.5): 907.54
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.18
ACD/KOC (pH 7.4): 907.54
Polar Surface Area: 0 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 108.1±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) =  3.82

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  119.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -58.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  19  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  17.57
       log Kow used: 3.82 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16.11 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.15E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.539E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.82  (KowWin est)
  Log Kaw used:  0.573  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.247
      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)    :   0.5065
   Biowin6 (MITI Non-Linear Model):   0.5366
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2879
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8860
     BioHC Half-Life (days)     :   7.6912

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.37E+003 Pa (17.8 mm Hg)
  Log Koa (Koawin est  ): 3.247
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.26E-009 
       Octanol/air (Koa) model:  4.34E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.57E-008 
       Mackay model           :  1.01E-007 
       Octanol/air (Koa) model:  3.47E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.6304 E-12 cm3/molecule-sec
      Half-Life =     0.207 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.486 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 7.34E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  484.2
      Log Koc:  2.685 

 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 = 2.240 (BCF = 173.8)
       log Kow used: 3.82 (estimated)

 Volatilization from Water:
    Henry LC:  0.0915 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.068  hours
    Half-Life from Model Lake :      98.86  hours   (4.119 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.52  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    12.91  percent
    Total to Air:               84.56  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.53            4.09         1000       
   Water     50.6            360          1000       
   Soil      41.5            720          1000       
   Sediment  4.38            3.24e+003    0          
     Persistence Time: 121 hr

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