ChemSpider 2D Image | 1,9-NONANEDIOL DIACRYLATE | C15H24O4

1,9-NONANEDIOL DIACRYLATE

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID7971145

More details:

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

1,9-Nonandiyl-bisacrylat [German] [ACD/IUPAC Name]
1,9-NONANEDIOL DIACRYLATE
1,9-Nonanediyl bisacrylate [ACD/IUPAC Name]
107481-28-7 [RN]
2-Propenoic acid, 1,9-nonanediyl ester [ACD/Index Name]
Bisacrylate de 1,9-nonanediyle [French] [ACD/IUPAC Name]
1,9-bis(acryloyloxy)nonane
1,9-Bis(acryloyloxy)nonane (stabilized with MEHQ)
1,9-bis(acryloyloxy)nonane(stabilizedwithmehq)
2-Propenoic acid,1,1'-(1,9-nonanediyl) ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 341.6±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.5±3.0 kJ/mol
    Flash Point: 159.5±18.8 °C
    Index of Refraction: 1.458
    Molar Refractivity: 74.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 0
    ACD/LogP: 4.55
    ACD/LogD (pH 5.5): 4.12
    ACD/BCF (pH 5.5): 792.10
    ACD/KOC (pH 5.5): 4135.69
    ACD/LogD (pH 7.4): 4.12
    ACD/BCF (pH 7.4): 792.10
    ACD/KOC (pH 7.4): 4135.69
    Polar Surface Area: 53 Å2
    Polarizability: 29.6±0.5 10-24cm3
    Surface Tension: 33.3±3.0 dyne/cm
    Molar Volume: 273.3±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) =  4.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  306.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  0.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00141  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.42
       log Kow used: 4.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0384 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.12E-006  atm-m3/mole
   Group Method:   1.04E-007  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.057E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.55  (KowWin est)
  Log Kaw used:  -4.339  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.889
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9681
   Biowin2 (Non-Linear Model)     :   0.9994
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8866  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9185  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0831
   Biowin6 (MITI Non-Linear Model):   0.9760
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9726
 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):  0.188 Pa (0.00141 mm Hg)
  Log Koa (Koawin est  ): 8.889
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.6E-005 
       Octanol/air (Koa) model:  0.00019 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000576 
       Mackay model           :  0.00127 
       Octanol/air (Koa) model:  0.015 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.9776 E-12 cm3/molecule-sec
      Half-Life =     0.334 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.014 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec
      Half-Life =     3.274 Days (at 7E11 mol/cm3)
      Half-Life =     78.583 Hrs
   Fraction sorbed to airborne particulates (phi): 0.000926 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  791.5
      Log Koc:  2.898 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.845E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.191  years  
  Kb Half-Life at pH 7:      11.906  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.805 (BCF = 63.82)
       log Kow used: 4.55 (estimated)

 Volatilization from Water:
    Henry LC:  1.04E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       9224  hours   (384.3 days)
    Half-Life from Model Lake : 1.008E+005  hours   (4198 days)

 Removal In Wastewater Treatment:
    Total removal:              58.64  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    58.09  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.449           7.28         1000       
   Water     19.8            360          1000       
   Soil      71.3            720          1000       
   Sediment  8.45            3.24e+003    0          
     Persistence Time: 569 hr

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