ChemSpider 2D Image | (4Z)-4-Isopropenyl-5-methoxy-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoct-4-ene | C12H26O3Si2

(4Z)-4-Isopropenyl-5-methoxy-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoct-4-ene

  • Molecular FormulaC12H26O3Si2
  • Average mass274.504 Da
  • Monoisotopic mass274.142059 Da
  • ChemSpider ID9230056

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-Isopropenyl-5-methoxy-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoct-4-en [German] [ACD/IUPAC Name]
(4Z)-4-Isopropenyl-5-methoxy-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoct-4-ene [ACD/IUPAC Name]
(4Z)-4-Isopropényl-5-méthoxy-2,2,7,7-tétraméthyl-3,6-dioxa-2,7-disilaoct-4-ène [French] [ACD/IUPAC Name]
3,6-Dioxa-2,7-disilaoct-4-ene, 4-methoxy-2,2,7,7-tetramethyl-5-(1-methylethenyl)-, (4Z)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 266.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 97.5±25.0 °C
Index of Refraction: 1.435
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1460.18
ACD/KOC (pH 5.5): 6407.37
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1460.18
ACD/KOC (pH 7.4): 6407.37
Polar Surface Area: 28 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 20.8±3.0 dyne/cm
Molar Volume: 305.3±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) =  3.87

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  245.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -1.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0342  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.588
       log Kow used: 3.87 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3373e+005 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 :   3.45E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.438E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.87  (KowWin est)
  Log Kaw used:  0.149  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.721
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2695
   Biowin2 (Non-Linear Model)     :   0.0131
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5839  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4419  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0874
   Biowin6 (MITI Non-Linear Model):   0.0050
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2048
 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):  4.43 Pa (0.0332 mm Hg)
  Log Koa (Koawin est  ): 3.721
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.78E-007 
       Octanol/air (Koa) model:  1.29E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.45E-005 
       Mackay model           :  5.42E-005 
       Octanol/air (Koa) model:  1.03E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 339.8632 E-12 cm3/molecule-sec
      Half-Life =     0.031 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.659 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    26.324999 E-17 cm3/molecule-sec
      Half-Life =     0.044 Days (at 7E11 mol/cm3)
      Half-Life =      1.045 Hrs
   Fraction sorbed to airborne particulates (phi): 3.93E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2118
      Log Koc:  3.326 

 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 = 2.277 (BCF = 189.4)
       log Kow used: 3.87 (estimated)

 Volatilization from Water:
    Henry LC:  0.0345 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.719  hours
    Half-Life from Model Lake :      157.7  hours   (6.57 days)

 Removal In Wastewater Treatment:
    Total removal:              93.84  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:    14.61  percent
    Total to Air:               79.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.213           0.438        1000       
   Water     33              900          1000       
   Soil      61              1.8e+003     1000       
   Sediment  5.74            8.1e+003     0          
     Persistence Time: 237 hr

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