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Search term: 1192-04-7 (Found by approved synonym)
ChemSpider 2D Image | 1-Bromocyclopentene | C5H7Br

1-Bromocyclopentene

  • Molecular FormulaC5H7Br
  • Average mass147.013 Da
  • Monoisotopic mass145.973099 Da
  • ChemSpider ID9139871

More details:

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

1192-04-7 [RN]
1-Bromcyclopenten [German] [ACD/IUPAC Name]
1-Bromo-1-cyclopentene
1-Bromocyclopentene [ACD/IUPAC Name]
1-Bromocyclopentène [French] [ACD/IUPAC Name]
Cyclopentene, 1-bromo- [ACD/Index Name]
(S)-tert-butyl 3-(piperazin-1-yl)pyrrolidine-1-carboxylate
[1192-04-7] [RN]
122927-84-8 [RN]
1-Bromocyclopent-1-ene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD09265517 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 139.8±19.0 °C at 760 mmHg
    Vapour Pressure: 7.9±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 36.2±3.0 kJ/mol
    Flash Point: 44.5±15.9 °C
    Index of Refraction: 1.558
    Molar Refractivity: 30.4±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 83.87
    ACD/KOC (pH 5.5): 828.96
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 83.87
    ACD/KOC (pH 7.4): 828.96
    Polar Surface Area: 0 Å2
    Polarizability: 12.1±0.5 10-24cm3
    Surface Tension: 40.0±3.0 dyne/cm
    Molar Volume: 94.4±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) =  2.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  141.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -35.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.58  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  280.7
       log Kow used: 2.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1884.6 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.77E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.224E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.86  (KowWin est)
  Log Kaw used:  -0.140  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.000
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6314
   Biowin2 (Non-Linear Model)     :   0.0287
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9032  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6710  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4369
   Biowin6 (MITI Non-Linear Model):   0.1770
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7616
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  932 Pa (6.99 mm Hg)
  Log Koa (Koawin est  ): 3.000
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.22E-009 
       Octanol/air (Koa) model:  2.45E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.16E-007 
       Mackay model           :  2.58E-007 
       Octanol/air (Koa) model:  1.96E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.9688 E-12 cm3/molecule-sec
      Half-Life =     0.428 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.140 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.035125 E-17 cm3/molecule-sec
      Half-Life =     1.107 Days (at 7E11 mol/cm3)
      Half-Life =     26.571 Hrs
   Fraction sorbed to airborne particulates (phi): 1.87E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  145.3
      Log Koc:  2.162 

 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 = 1.504 (BCF = 31.94)
       log Kow used: 2.86 (estimated)

 Volatilization from Water:
    Henry LC:  0.0177 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.277  hours
    Half-Life from Model Lake :      115.6  hours   (4.817 days)

 Removal In Wastewater Treatment:
    Total removal:              87.50  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     2.25  percent
    Total to Air:               85.22  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.46            7.41         1000       
   Water     60.7            360          1000       
   Soil      31              720          1000       
   Sediment  0.785           3.24e+003    0          
     Persistence Time: 102 hr

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