ChemSpider 2D Image | TTEGDA | C14H22O7

TTEGDA

  • Molecular FormulaC14H22O7
  • Average mass302.320 Da
  • Monoisotopic mass302.136566 Da
  • ChemSpider ID26793

More details:

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

13-Oxo-3,6,9,12-tetraoxapentadec-14-en-1-yl acrylate
13-oxo-3,6,9,12-tetraoxapentadec-14-en-1-yl prop-2-enoate (non-preferred name)
17831-71-9 [RN]
241-789-3 [EINECS]
2-propenoic acid, 3,6,9-trioxaundecane-1,11-diyl ester
2-Propenoic acid, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester [ACD/Index Name]
Bisacrylate d'oxybis(2,1-éthanediyloxy-2,1-éthanediyle) [French] [ACD/IUPAC Name]
MFCD00008630
Oxybis(2,1-ethandiyloxy-2,1-ethandiyl)-bisacrylat [German] [ACD/IUPAC Name]
Oxybis(2,1-ethanediyloxy-2,1-ethanediyl) bisacrylate [ACD/IUPAC Name]
More...

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

398802_ALDRICH [DBID]
CCRIS 3434 [DBID]
NCGC00091030-01 [DBID]
NCGC00091030-02 [DBID]
SR 268 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 381.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 165.2±23.8 °C
Index of Refraction: 1.457
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.40
ACD/KOC (pH 5.5): 83.61
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 83.61
Polar Surface Area: 80 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 275.9±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) =  0.29
    Log Kow (Exper. database match) =  1.26
       Exper. Ref:  Sangster (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  334.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  7.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000308  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  998.8
       log Kow used: 1.26 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  52707 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acrylates
       Surfactants-nonionic

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.78E-013  atm-m3/mole
   Group Method:   9.09E-017  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.227E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.26  (exp database)
  Log Kaw used:  -10.627  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.887
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0901
   Biowin2 (Non-Linear Model)     :   0.0319
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7855  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8403  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9371
   Biowin6 (MITI Non-Linear Model):   0.8782
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1748
 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):  0.0411 Pa (0.000308 mm Hg)
  Log Koa (Koawin est  ): 11.887
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.31E-005 
       Octanol/air (Koa) model:  0.189 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00263 
       Mackay model           :  0.00581 
       Octanol/air (Koa) model:  0.938 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.1330 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 =     0.350000 E-17 cm3/molecule-sec
      Half-Life =     3.274 Days (at 7E11 mol/cm3)
      Half-Life =     78.583 Hrs
   Fraction sorbed to airborne particulates (phi): 0.00422 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.063E-001  L/mol-sec
  Kb Half-Life at pH 8:      75.466  days   
  Kb Half-Life at pH 7:       2.066  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.270 (BCF = 1.863)
       log Kow used: 1.26 (expkow database)

 Volatilization from Water:
    Henry LC:  9.09E-017 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  1.12E+013  hours   (4.666E+011 days)
    Half-Life from Model Lake : 1.222E+014  hours   (5.091E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               1.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.83  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       1.98e-009       3.81         1000       
   Water     32.1            360          1000       
   Soil      67.9            720          1000       
   Sediment  0.0687          3.24e+003    0          
     Persistence Time: 629 hr

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