Found 5 results

Search term: MF = 'C_{16}H_{26}O_{6}Si_{2}'

ChemSpider 2D Image | (5R,5'R)-5,5'-[(4R,5R)-2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctane-4,5-diyl]di(2(5H)-furanone) | C16H26O6Si2

(5R,5'R)-5,5'-[(4R,5R)-2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctane-4,5-diyl]di(2(5H)-furanone)

  • Molecular FormulaC16H26O6Si2
  • Average mass370.545 Da
  • Monoisotopic mass370.126801 Da
  • ChemSpider ID9058441
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(5R,5'R)-5,5'-[(4R,5R)-2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctan-4,5-diyl]di(2(5H)-furanon) [German] [ACD/IUPAC Name]
(5R,5'R)-5,5'-[(4R,5R)-2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctane-4,5-diyl]di(2(5H)-furanone) [ACD/IUPAC Name]
(5R,5'R)-5,5'-[(4R,5R)-2,2,7,7-Tétraméthyl-3,6-dioxa-2,7-disilaoctane-4,5-diyl]di(2(5H)-furanone) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 180.5±18.7 °C
Index of Refraction: 1.487
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.36
ACD/KOC (pH 5.5): 362.06
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.36
ACD/KOC (pH 7.4): 362.06
Polar Surface Area: 71 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 332.0±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) =  1.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  442.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  138.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.43E-008  (Modified Grain method)
    Subcooled liquid VP: 7.47E-007 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  344.5
       log Kow used: 1.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10438 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.55E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.685E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.32  (KowWin est)
  Log Kaw used:  -6.838  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.158
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9195
   Biowin2 (Non-Linear Model)     :   0.9973
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6607  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7710  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2480
   Biowin6 (MITI Non-Linear Model):   0.0291
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1555
 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):  9.96E-005 Pa (7.47E-007 mm Hg)
  Log Koa (Koawin est  ): 8.158
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0301 
       Octanol/air (Koa) model:  3.53E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.521 
       Mackay model           :  0.707 
       Octanol/air (Koa) model:  0.00282 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.1519 E-12 cm3/molecule-sec
      Half-Life =     0.167 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.001 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): 0.614 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6682
      Log Koc:  3.825 

 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 = 0.319 (BCF = 2.084)
       log Kow used: 1.32 (estimated)

 Volatilization from Water:
    Henry LC:  3.55E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.175E+005  hours   (1.323E+004 days)
    Half-Life from Model Lake : 3.464E+006  hours   (1.443E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.93  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.84  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       0.0642          3.01         1000       
   Water     38.5            900          1000       
   Soil      61.4            1.8e+003     1000       
   Sediment  0.0893          8.1e+003     0          
     Persistence Time: 933 hr




                    

Click to predict properties on the Chemicalize site






Advertisement