ChemSpider 2D Image | 8-Chloro-1-octene | C8H15Cl

8-Chloro-1-octene

  • Molecular FormulaC8H15Cl
  • Average mass146.658 Da
  • Monoisotopic mass146.086227 Da
  • ChemSpider ID9519035

More details:

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

1-Octene, 8-chloro- [ACD/Index Name]
8-Chlor-1-octen [German] [ACD/IUPAC Name]
8-Chloro-1-octene [ACD/IUPAC Name]
8-Chloro-1-octène [French] [ACD/IUPAC Name]
7-octenyl chloride
871-90-9 [RN]
8-Chlorooct-1-ene
8-Chlorooct-1-ene|Oct-7-en-1-yl chloride
DS-8612
MFCD00671827 [MDL number]
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 180.9±19.0 °C at 760 mmHg
    Vapour Pressure: 1.2±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.0±3.0 kJ/mol
    Flash Point: 59.1±9.0 °C
    Index of Refraction: 1.436
    Molar Refractivity: 43.7±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.18
    ACD/LogD (pH 5.5): 3.79
    ACD/BCF (pH 5.5): 444.08
    ACD/KOC (pH 5.5): 2733.09
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 444.08
    ACD/KOC (pH 7.4): 2733.09
    Polar Surface Area: 0 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 26.2±3.0 dyne/cm
    Molar Volume: 167.1±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) =  4.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  177.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -37.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.1  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  14.04
       log Kow used: 4.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.554 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.40E-001  atm-m3/mole
   Group Method:   2.28E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.512E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.39  (KowWin est)
  Log Kaw used:  0.758  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.632
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5663
   Biowin2 (Non-Linear Model)     :   0.2836
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7019  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5355  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5920
   Biowin6 (MITI Non-Linear Model):   0.5781
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7568
 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):  133 Pa (0.995 mm Hg)
  Log Koa (Koawin est  ): 3.632
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.26E-008 
       Octanol/air (Koa) model:  1.05E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.17E-007 
       Mackay model           :  1.81E-006 
       Octanol/air (Koa) model:  8.42E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.5381 E-12 cm3/molecule-sec
      Half-Life =     0.329 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.945 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 1.31E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  934.6
      Log Koc:  2.971 

 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 = 2.679 (BCF = 477.1)
       log Kow used: 4.39 (estimated)

 Volatilization from Water:
    Henry LC:  0.0228 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.267  hours
    Half-Life from Model Lake :      115.4  hours   (4.807 days)

 Removal In Wastewater Treatment:
    Total removal:              92.57  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    32.58  percent
    Total to Air:               59.84  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.958           5.87         1000       
   Water     13.9            900          1000       
   Soil      77              1.8e+003     1000       
   Sediment  8.12            8.1e+003     0          
     Persistence Time: 562 hr

    Click to predict properties on the Chemicalize site


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