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CAS Number: 9082-00-2
SMILES : OCC(C)OCC(C)OCC(C)OC(COC(C)COC(C)COC(C)CO)COCC(C)OCC(C)OCC(C)O
CHEM : Oxirane, methyl-, polymer with oxirane, ether with 1,2,3-propanetriol
(3:1)
MOL FOR: C30 H62 O12
MOL WT : 614.82
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = -0.96
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 615.61 (Adapted Stein & Brown method)
Melting Pt (deg C): 266.60 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.71E-018 (Modified Grain method)
VP (Pa, 25 deg C) : 7.62E-016 (Modified Grain method)
Subcooled liquid VP: 2.56E-015 mm Hg (25 deg C, Mod-Grain method)
: 3.41E-013 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 845.2
log Kow used: -0.96 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.30E-024 atm-m3/mole (4.35E-019 Pa-m3/mole)
Group Method: 3.01E-036 atm-m3/mole (3.05E-031 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 5.465E-021 atm-m3/mole (5.538E-016 Pa-m3/mole)
VP: 5.71E-018 mm Hg (source: MPBPVP)
WS: 845 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.96 (KowWin est)
Log Kaw used: -21.755 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 20.795
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -2.1952
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2424 (months )
Biowin4 (Primary Survey Model) : 3.2614 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5798
Biowin6 (MITI Non-Linear Model): 0.0001
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -3.1696
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): 3.41E-013 Pa (2.56E-015 mm Hg)
Log Koa (Koawin est ): 20.795
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.79E+006
Octanol/air (Koa) model: 1.53E+008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 215.7394 E-12 cm3/molecule-sec
Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.595 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 162.9 L/kg (MCI method)
Log Koc: 2.212 (MCI method)
Koc : 0.0865 L/kg (Kow method)
Log Koc: -1.063 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -3.0796 days (HL = 0.0008326 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8951)
Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8951)
log Kow used: -0.96 (estimated)
Volatilization from Water:
Henry LC: 4.3E-024 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.376E+020 hours (1.407E+019 days)
Half-Life from Model Lake : 3.683E+021 hours (1.535E+020 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 1.54e-008 1.19 1000
Water 13.6 1.44e+003 1000
Soil 86.3 2.88e+003 1000
Sediment 0.141 1.3e+004 0
Persistence Time: 2.45e+003 hr