ChemSpider 2D Image | MFCD00010247 | C5H7Cl

MFCD00010247

  • Molecular FormulaC5H7Cl
  • Average mass102.562 Da
  • Monoisotopic mass102.023628 Da
  • ChemSpider ID120483

More details:

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

1-Chlorcyclopenten [German] [ACD/IUPAC Name]
1-CHLORO-1-CYCLOPENTENE
1-Chlorocyclopentene [ACD/IUPAC Name]
1-Chlorocyclopentène [French] [ACD/IUPAC Name]
930-29-0 [RN]
Cyclopentene, 1-chloro- [ACD/Index Name]
MFCD00010247
[930-29-0] [RN]
1-chlorocyclopent-1-ene

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

276650_ALDRICH [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 115.4±9.0 °C at 760 mmHg
Vapour Pressure: 22.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.9±3.0 kJ/mol
Flash Point: 9.4±0.0 °C
Index of Refraction: 1.484
Molar Refractivity: 27.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.17
ACD/KOC (pH 5.5): 454.04
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.17
ACD/KOC (pH 7.4): 454.04
Polar Surface Area: 0 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 28.4±5.0 dyne/cm
Molar Volume: 96.8±5.0 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):  100.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  42  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  339.6
       log Kow used: 2.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  894.97 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 :   6.38E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.669E-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:  0.416  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.544
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5873
   Biowin2 (Non-Linear Model)     :   0.4254
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7993  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5992  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4735
   Biowin6 (MITI Non-Linear Model):   0.4167
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3879
 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):  5.32E+003 Pa (39.9 mm Hg)
  Log Koa (Koawin est  ): 2.544
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.64E-010 
       Octanol/air (Koa) model:  8.59E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.04E-008 
       Mackay model           :  4.51E-008 
       Octanol/air (Koa) model:  6.87E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.6238 E-12 cm3/molecule-sec
      Half-Life =     0.519 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.223 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.057306 E-17 cm3/molecule-sec
      Half-Life =     1.084 Days (at 7E11 mol/cm3)
      Half-Life =     26.013 Hrs
   Fraction sorbed to airborne particulates (phi): 3.27E-008 (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 = 1.581 (BCF = 38.07)
       log Kow used: 2.96 (estimated)

 Volatilization from Water:
    Henry LC:  0.0638 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.043  hours
    Half-Life from Model Lake :      96.29  hours   (4.012 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.16  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     2.44  percent
    Total to Air:               93.70  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.5            8.42         1000       
   Water     73.8            360          1000       
   Soil      14.5            720          1000       
   Sediment  1.15            3.24e+003    0          
     Persistence Time: 83.4 hr

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