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CAS Num: 056038-13-2
SMILES : O(C(C(C(O)C1O)CL)CO)C1OC(OC(C2O)CCL)(C2O)CCL
CHEM : SUCRALOSE
MOL FOR: C12 H19 CL3 O8
MOL WT : 397.64
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -1.00
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 551.89 (Adapted Stein & Brown method)
Melting Pt (deg C): 236.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.25E-014 (Modified Grain method)
VP (Pa, 25 deg C) : 4.33E-012 (Modified Grain method)
MP (exp database): 130 deg C
Subcooled liquid VP: 3.65E-013 mm Hg (25 deg C, Mod-Grain method)
: 4.87E-011 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.275e+004
log Kow used: -1.00 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Halo Ethers
Halo Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.99E-019 atm-m3/mole (4.05E-014 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 7.474E-019 atm-m3/mole (7.573E-014 Pa-m3/mole)
VP: 3.25E-014 mm Hg (source: MPBPVP)
WS: 2.28E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.00 (KowWin est)
Log Kaw used: -16.787 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.787
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.2083
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3626 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4368 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6579
Biowin6 (MITI Non-Linear Model): 0.0040
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7435
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): 4.87E-011 Pa (3.65E-013 mm Hg)
Log Koa (Koawin est ): 15.787
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.16E+004
Octanol/air (Koa) model: 1.5E+003
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 = 54.2525 E-12 cm3/molecule-sec
Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.366 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 : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 0.1894 L/kg (Kow method)
Log Koc: -0.723 (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 v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.2620 days (HL = 0.005471 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8949)
Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8949)
log Kow used: -1.00 (estimated)
Volatilization from Water:
Henry LC: 3.99E-019 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.926E+015 hours (1.219E+014 days)
Half-Life from Model Lake : 3.192E+016 hours (1.33E+015 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 1.05e-006 4.73 1000
Water 35 900 1000
Soil 64.9 1.8e+003 1000
Sediment 0.0835 8.1e+003 0
Persistence Time: 1.15e+003 hr