ChemSpider 2D Image | MFCD00080452 | C18H30O4

MFCD00080452

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID73256

More details:

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

1,10-DECAMETHYLENE DIMETHACRYLATE
1,10-Decandiyl-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
1,10-Decanediyl bis(2-methylacrylate) [ACD/IUPAC Name]
229-745-1 [EINECS]
2-methyl-1,1'-(1,10-decanediyl) ester
2-Propenoic acid [ACD/Index Name]
2-Propenoic acid, 2-methyl-, 1,10-decanediyl ester [ACD/Index Name]
6701-13-9 [RN]
Bis(2-méthylacrylate) de 1,10-décanediyle [French] [ACD/IUPAC Name]
Decamethylene glycol dimethacrylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BU9449K3UC [DBID]
UNII:BU9449K3UC [DBID]
UNII-BU9449K3UC [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 386.9±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.6±3.0 kJ/mol
    Flash Point: 181.0±18.8 °C
    Index of Refraction: 1.459
    Molar Refractivity: 88.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 1
    ACD/LogP: 6.19
    ACD/LogD (pH 5.5): 5.42
    ACD/BCF (pH 5.5): 7689.16
    ACD/KOC (pH 5.5): 21042.77
    ACD/LogD (pH 7.4): 5.42
    ACD/BCF (pH 7.4): 7689.16
    ACD/KOC (pH 7.4): 21042.77
    Polar Surface Area: 53 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 32.2±3.0 dyne/cm
    Molar Volume: 322.4±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) =  6.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  338.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  13.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000247  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.06116
       log Kow used: 6.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.15595 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.65E-006  atm-m3/mole
   Group Method:   5.87E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.650E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.14  (KowWin est)
  Log Kaw used:  -3.826  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.966
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9481
   Biowin2 (Non-Linear Model)     :   0.9988
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7936  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8578  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9958
   Biowin6 (MITI Non-Linear Model):   0.9480
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9864
 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):  0.0329 Pa (0.000247 mm Hg)
  Log Koa (Koawin est  ): 9.966
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.11E-005 
       Octanol/air (Koa) model:  0.00227 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00328 
       Mackay model           :  0.00723 
       Octanol/air (Koa) model:  0.154 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.2326 E-12 cm3/molecule-sec
      Half-Life =     0.209 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.505 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.275000 E-17 cm3/molecule-sec
      Half-Life =     0.504 Days (at 7E11 mol/cm3)
      Half-Life =     12.090 Hrs
   Fraction sorbed to airborne particulates (phi): 0.00526 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3636
      Log Koc:  3.561 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.430E-003  L/mol-sec
  Kb Half-Life at pH 8:       9.040  years  
  Kb Half-Life at pH 7:      90.399  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.526 (BCF = 335.7)
       log Kow used: 6.14 (estimated)

 Volatilization from Water:
    Henry LC:  5.87E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      177.5  hours   (7.397 days)
    Half-Life from Model Lake :       2084  hours   (86.85 days)

 Removal In Wastewater Treatment:
    Total removal:              92.67  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.89  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       0.162           3.54         1000       
   Water     6.7             360          1000       
   Soil      34.7            720          1000       
   Sediment  58.4            3.24e+003    0          
     Persistence Time: 999 hr

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