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Search term: 13532-94-0 (Found by approved synonym)
ChemSpider 2D Image | 2-Butoxyethyl methacrylate | C10H18O3

2-Butoxyethyl methacrylate

  • Molecular FormulaC10H18O3
  • Average mass186.248 Da
  • Monoisotopic mass186.125595 Da
  • ChemSpider ID75387

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

13532-94-0 [RN]
236-885-7 [EINECS]
2-Butoxyethyl methacrylate [ACD/IUPAC Name]
2-Butoxyethylmethacrylat [German] [ACD/IUPAC Name]
2-n-butoxyethyl methacrylate
2-Propenoic acid, 2-methyl-, 2-butoxyethyl ester [ACD/Index Name]
Méthacrylate de 2-butoxyéthyle [French] [ACD/IUPAC Name]
13671-63-1 [RN]
2-butoxyethanol methacrylate
2-butoxyethyl 2-methylprop-2-enoate
More...

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

463361_ALDRICH [DBID]
NSC 35170 [DBID]
NSC35170 [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 236.8±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.4±3.0 kJ/mol
    Flash Point: 92.0±14.4 °C
    Index of Refraction: 1.432
    Molar Refractivity: 51.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.54
    ACD/KOC (pH 5.5): 526.96
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.54
    ACD/KOC (pH 7.4): 526.96
    Polar Surface Area: 36 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 28.8±3.0 dyne/cm
    Molar Volume: 198.3±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) =  2.47

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  223.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.107  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  395.7
       log Kow used: 2.47 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1579.6 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.27E-006  atm-m3/mole
   Group Method:   1.69E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.627E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.47  (KowWin est)
  Log Kaw used:  -3.667  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.137
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5941
   Biowin2 (Non-Linear Model)     :   0.9457
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2175  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0673  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7635
   Biowin6 (MITI Non-Linear Model):   0.8496
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2567
 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):  13.3 Pa (0.1 mm Hg)
  Log Koa (Koawin est  ): 6.137
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.25E-007 
       Octanol/air (Koa) model:  3.37E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.13E-006 
       Mackay model           :  1.8E-005 
       Octanol/air (Koa) model:  2.69E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.3167 E-12 cm3/molecule-sec
      Half-Life =     0.272 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.265 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 1.31E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  21.71
      Log Koc:  1.337 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  7.000E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.138  years  
  Kb Half-Life at pH 7:      31.376  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.205 (BCF = 16.03)
       log Kow used: 2.47 (estimated)

 Volatilization from Water:
    Henry LC:  1.69E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      474.2  hours   (19.76 days)
    Half-Life from Model Lake :       5287  hours   (220.3 days)

 Removal In Wastewater Treatment:
    Total removal:               3.11  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.91  percent
    Total to Air:                0.09  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.523           5.14         1000       
   Water     27.5            360          1000       
   Soil      71.7            720          1000       
   Sediment  0.183           3.24e+003    0          
     Persistence Time: 444 hr

    Click to predict properties on the Chemicalize site


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