ChemSpider 2D Image | DECYL VINYL ETHER | C12H24O

DECYL VINYL ETHER

  • Molecular FormulaC12H24O
  • Average mass184.318 Da
  • Monoisotopic mass184.182709 Da
  • ChemSpider ID12458

More details:






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

1-(Vinyloxy)decan [German] [ACD/IUPAC Name]
1-(Vinyloxy)decane [ACD/IUPAC Name]
1-(Vinyloxy)décane [French] [ACD/IUPAC Name]
212-137-5 [EINECS]
58335-26-5 [RN]
765-05-9 [RN]
Decane, 1-(ethenyloxy)- [ACD/Index Name]
DECYL VINYL ETHER
Ether, decyl vinyl
VINYL DECYL ETHER
More...

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

BRN 1703914 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 232.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 33.0±10.8 °C
Index of Refraction: 1.432
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6297.90
ACD/KOC (pH 5.5): 18241.31
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6297.90
ACD/KOC (pH 7.4): 18241.31
Polar Surface Area: 9 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 26.7±3.0 dyne/cm
Molar Volume: 228.1±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) =  4.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  224.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -5.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.16  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -41 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.846
       log Kow used: 4.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.1869 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.34E-002  atm-m3/mole
   Group Method:   8.88E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.009E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.84  (KowWin est)
  Log Kaw used:  0.477  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.363
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4209
   Biowin2 (Non-Linear Model)     :   0.2325
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0815  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8411  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6290
   Biowin6 (MITI Non-Linear Model):   0.7442
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1949
 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):  20 Pa (0.15 mm Hg)
  Log Koa (Koawin est  ): 4.363
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.5E-007 
       Octanol/air (Koa) model:  5.66E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.42E-006 
       Mackay model           :  1.2E-005 
       Octanol/air (Koa) model:  4.53E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  55.0131 E-12 cm3/molecule-sec
      Half-Life =     0.194 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.333 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.875000 E-17 cm3/molecule-sec
      Half-Life =     1.310 Days (at 7E11 mol/cm3)
      Half-Life =     31.433 Hrs
   Fraction sorbed to airborne particulates (phi): 8.71E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  588.5
      Log Koc:  2.770 

 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 = 2.028 (BCF = 106.7)
       log Kow used: 4.84 (estimated)

 Volatilization from Water:
    Henry LC:  0.0888 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.394  hours
    Half-Life from Model Lake :        129  hours   (5.377 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.11  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    45.76  percent
    Total to Air:               52.18  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.982           4.06         1000       
   Water     18              360          1000       
   Soil      66.4            720          1000       
   Sediment  14.6            3.24e+003    0          
     Persistence Time: 336 hr




                    

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