ChemSpider 2D Image | methyl ethyl cyclopentene | C8H14

methyl ethyl cyclopentene

  • Molecular FormulaC8H14
  • Average mass110.197 Da
  • Monoisotopic mass110.109550 Da
  • ChemSpider ID79606

More details:

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

19780-56-4 [RN]
1-Ethyl-2-methylcyclopenten [German] [ACD/IUPAC Name]
1-Ethyl-2-methylcyclopentene [ACD/IUPAC Name]
1-Éthyl-2-méthylcyclopentène [French] [ACD/IUPAC Name]
243-303-5 [EINECS]
2-Methyl-1-ethylcyclopentene
Cyclopentene, 1-ethyl-2-methyl- [ACD/Index Name]
methyl ethyl cyclopentene
1-ethyl-2-methyl cyclopentene
1-Ethyl-2-methyl-1-cyclopentene
More...

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

Density: 0.8±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: 15.8±13.0 °C
Index of Refraction: 1.454
Molar Refractivity: 36.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 430.09
ACD/KOC (pH 5.5): 2671.18
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 430.09
ACD/KOC (pH 7.4): 2671.18
Polar Surface Area: 0 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 24.3±3.0 dyne/cm
Molar Volume: 135.6±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) =  4.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  133.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  10.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  10.86
       log Kow used: 4.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  34.49 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.63E-001  atm-m3/mole
   Group Method:   1.34E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.402E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.06  (KowWin est)
  Log Kaw used:  0.824  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.236
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6951
   Biowin2 (Non-Linear Model)     :   0.8090
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9556  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6887  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4937
   Biowin6 (MITI Non-Linear Model):   0.6277
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3429
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6287
     BioHC Half-Life (days)     :   4.2531

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.29E+003 Pa (9.69 mm Hg)
  Log Koa (Koawin est  ): 3.236
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.32E-009 
       Octanol/air (Koa) model:  4.23E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.39E-008 
       Mackay model           :  1.86E-007 
       Octanol/air (Koa) model:  3.38E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 113.6121 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.130 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): 1.35E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  464.2
      Log Koc:  2.667 

 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 = 2.423 (BCF = 264.5)
       log Kow used: 4.06 (estimated)

 Volatilization from Water:
    Henry LC:  0.163 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.075  hours
    Half-Life from Model Lake :      99.75  hours   (4.156 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.67  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:    19.14  percent
    Total to Air:               79.46  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.193           0.208        1000       
   Water     51.2            360          1000       
   Soil      41.2            720          1000       
   Sediment  7.43            3.24e+003    0          
     Persistence Time: 120 hr

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