ChemSpider 2D Image | 1,1'-Bi(cyclopropylidene) | C6H8

1,1'-Bi(cyclopropylidene)

  • Molecular FormulaC6H8
  • Average mass80.128 Da
  • Monoisotopic mass80.062599 Da
  • ChemSpider ID124704

More details:

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

1,1'-Bi(cyclopropyliden) [German] [ACD/IUPAC Name]
1,1'-Bi(cyclopropylidene) [ACD/IUPAC Name]
1,1'-Bi(cyclopropylidène) [French] [ACD/IUPAC Name]
Cyclopropane cyclopropylidene-
Cyclopropane, cyclopropylidene- [ACD/Index Name]
Cyclopropylidene cyclopropane
27567-82-4 [RN]
Bicyclopropylidene
cyclopropane cyclopropylidene
Cyclopropylidenecyclopropane
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 85.5±7.0 °C at 760 mmHg
    Vapour Pressure: 77.6±0.1 mmHg at 25°C
    Enthalpy of Vaporization: 31.2±0.8 kJ/mol
    Flash Point: -17.7±13.0 °C
    Index of Refraction: 1.650
    Molar Refractivity: 25.3±0.3 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): 2.61
    ACD/BCF (pH 5.5): 56.34
    ACD/KOC (pH 5.5): 623.54
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.34
    ACD/KOC (pH 7.4): 623.54
    Polar Surface Area: 0 Å2
    Polarizability: 10.0±0.5 10-24cm3
    Surface Tension: 57.8±3.0 dyne/cm
    Molar Volume: 69.4±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) =  2.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  93.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -52.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  56.9  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  112.5
       log Kow used: 2.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  177.03 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.24E-002  atm-m3/mole
   Group Method:   9.30E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.333E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.96  (KowWin est)
  Log Kaw used:  0.471  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.489
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7094
   Biowin2 (Non-Linear Model)     :   0.8666
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0221  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7321  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5527
   Biowin6 (MITI Non-Linear Model):   0.7611
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3560
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5658
     BioHC Half-Life (days)     :  36.7972

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.27E+003 Pa (54.5 mm Hg)
  Log Koa (Koawin est  ): 2.489
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.13E-010 
       Octanol/air (Koa) model:  7.57E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.49E-008 
       Mackay model           :  3.3E-008 
       Octanol/air (Koa) model:  6.05E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 110.0919 E-12 cm3/molecule-sec
      Half-Life =     0.097 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.166 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): 2.4E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  158.8
      Log Koc:  2.201 

 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 = 1.580 (BCF = 37.99)
       log Kow used: 2.96 (estimated)

 Volatilization from Water:
    Henry LC:  0.0093 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:     0.9698  hours   (58.19 min)
    Half-Life from Model Lake :      85.64  hours   (3.568 days)

 Removal In Wastewater Treatment:
    Total removal:              78.92  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     2.97  percent
    Total to Air:               75.90  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.174           0.209        1000       
   Water     48.2            360          1000       
   Soil      50.9            720          1000       
   Sediment  0.748           3.24e+003    0          
     Persistence Time: 130 hr

    Click to predict properties on the Chemicalize site


    Advertisement