ChemSpider 2D Image | Cyclopentene oxide | C5H8O

Cyclopentene oxide

  • Molecular FormulaC5H8O
  • Average mass84.116 Da
  • Monoisotopic mass84.057518 Da
  • ChemSpider ID8888

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

1,2-Epoxycyclopentane
6-Oxabicyclo[3.1.0]hexan [German] [ACD/IUPAC Name]
6-Oxabicyclo[3.1.0]hexane [ACD/Index Name] [ACD/IUPAC Name]
6-Oxabicyclo[3.1.0]hexane [French] [ACD/Index Name] [ACD/IUPAC Name]
Cyclopentene epoxide
Cyclopentene oxide
(±)-6-Oxabicyclo(3.1.0)hexane
(±)-6-OXABICYCLO[3.1.0]HEXANE
[285-67-6]
1,2-Epoxycyclopentane, Cyclopentene oxide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

175188_ALDRICH [DBID]
29826_FLUKA [DBID]
AI3-25407 [DBID]
BRN 0102495 [DBID]
HSDB 5421 [DBID]
MFCD00005161 [DBID]
NSC 148216 [DBID]
NSC148216 [DBID]
NSC196230 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 102.0±0.0 °C at 760 mmHg
Vapour Pressure: 39.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 32.7±3.0 kJ/mol
Flash Point: 10.0±0.0 °C
Index of Refraction: 1.490
Molar Refractivity: 22.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.97
ACD/KOC (pH 5.5): 93.37
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.97
ACD/KOC (pH 7.4): 93.37
Polar Surface Area: 13 Å2
Polarizability: 9.0±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 78.5±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) =  1.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  86.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -63.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  39.8  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  102 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.29e+004
       log Kow used: 1.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  25070 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.24E-004  atm-m3/mole
   Group Method:   4.66E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.415E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.17  (KowWin est)
  Log Kaw used:  -2.295  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.465
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3601
   Biowin2 (Non-Linear Model)     :   0.1659
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0046  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7166  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5474
   Biowin6 (MITI Non-Linear Model):   0.6084
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2977
 Ready Biodegradability Prediction:   YES

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.04E+003 Pa (37.8 mm Hg)
  Log Koa (Koawin est  ): 3.465
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.95E-010 
       Octanol/air (Koa) model:  7.16E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.15E-008 
       Mackay model           :  4.76E-008 
       Octanol/air (Koa) model:  5.73E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.1714 E-12 cm3/molecule-sec
      Half-Life =     3.373 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    40.472 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.46E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8.64
      Log Koc:  0.936 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Ka (acid-catalyzed) at 25 deg C :  2.139E+000  L/mol-sec
  Ka Half-Life at pH 7:      37.499  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.200 (BCF = 1.584)
       log Kow used: 1.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.000124 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.266  hours
    Half-Life from Model Lake :      134.4  hours   (5.598 days)

 Removal In Wastewater Treatment:
    Total removal:               7.70  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.72  percent
    Total to Air:                5.89  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       11.7            81           1000       
   Water     41.9            360          1000       
   Soil      46.4            720          1000       
   Sediment  0.0873          3.24e+003    0          
     Persistence Time: 261 hr




                    

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