ChemSpider 2D Image | 1-Methyl-1-vinylcyclopropane | C6H10

1-Methyl-1-vinylcyclopropane

  • Molecular FormulaC6H10
  • Average mass82.144 Da
  • Monoisotopic mass82.078247 Da
  • ChemSpider ID123599

More details:

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

1-Methyl-1-vinylcyclopropan [German] [ACD/IUPAC Name]
1-Methyl-1-vinylcyclopropane [ACD/IUPAC Name]
1-Méthyl-1-vinylcyclopropane [French] [ACD/IUPAC Name]
Cyclopropane, 1-ethenyl-1-methyl- [ACD/Index Name]
Cyclopropane, 1-methyl-1-vinyl-
16906-27-7 [RN]
1-ethenyl-1-methylcyclopropane
CYCLOPROPANE,1-VINYL-1-METHYL-
MFCD32746228

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

Density: 0.9±0.1 g/cm3
Boiling Point: 49.4±7.0 °C at 760 mmHg
Vapour Pressure: 312.9±0.0 mmHg at 25°C
Enthalpy of Vaporization: 28.1±0.8 kJ/mol
Flash Point: -31.7±13.0 °C
Index of Refraction: 1.544
Molar Refractivity: 29.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.86
ACD/KOC (pH 5.5): 571.30
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.86
ACD/KOC (pH 7.4): 571.30
Polar Surface Area: 0 Å2
Polarizability: 11.6±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 92.5±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) =  2.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  60.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -76.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  205  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  118.8
       log Kow used: 2.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  80.835 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.98E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.865E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.93  (KowWin est)
  Log Kaw used:  0.611  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.319
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5245
   Biowin2 (Non-Linear Model)     :   0.5297
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8055  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5758  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5938
   Biowin6 (MITI Non-Linear Model):   0.7561
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0383
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.2250
     BioHC Half-Life (days)     :  16.7887

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.69E+004 Pa (202 mm Hg)
  Log Koa (Koawin est  ): 2.319
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.11E-010 
       Octanol/air (Koa) model:  5.12E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.02E-009 
       Mackay model           :  8.91E-009 
       Octanol/air (Koa) model:  4.09E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.5238 E-12 cm3/molecule-sec
      Half-Life =     0.403 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.839 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 6.47E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  124.5
      Log Koc:  2.095 

 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 = 1.555 (BCF = 35.86)
       log Kow used: 2.93 (estimated)

 Volatilization from Water:
    Henry LC:  0.0998 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.9302  hours   (55.81 min)
    Half-Life from Model Lake :      86.15  hours   (3.589 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.51  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     2.26  percent
    Total to Air:               95.22  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       11.9            9.12         1000       
   Water     77.4            360          1000       
   Soil      9.57            720          1000       
   Sediment  1.14            3.24e+003    0          
     Persistence Time: 79.5 hr

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