This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 15879-93-3
SMILES : O(C(OC(C1O)C(O)CO)C1O2)C2C(CL)(CL)CL
CHEM : a-D-Glucofuranose, 1,2-O-(2,2,2-trichloroethylidene)-, (R)-
MOL FOR: C8 H11 CL3 O6
MOL WT : 309.53
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 0.68
Log Kow (Exper. database match) = 1.02
Exper. Ref: SANGSTER (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 394.93 (Adapted Stein & Brown method)
Melting Pt (deg C): 146.00 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.1E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 1.46E-007 (Modified Grain method)
MP (exp database): 182-184 deg C
Subcooled liquid VP: 4.75E-008 mm Hg (25 deg C, Mod-Grain method)
: 6.33E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1453
log Kow used: 1.02 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 4440 mg/L (15 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
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
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.62E-017 atm-m3/mole (9.75E-012 Pa-m3/mole)
Group Method: 6.29E-023 atm-m3/mole (6.37E-018 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: 3.083E-013 atm-m3/mole (3.124E-008 Pa-m3/mole)
VP: 1.1E-009 mm Hg (source: MPBPVP)
WS: 1.45E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.02 (exp database)
Log Kaw used: -14.405 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.425
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.4838
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2374 (months )
Biowin4 (Primary Survey Model) : 3.3050 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4110
Biowin6 (MITI Non-Linear Model): 0.0039
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1418
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): 6.33E-006 Pa (4.75E-008 mm Hg)
Log Koa (Koawin est ): 15.425
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.474
Octanol/air (Koa) model: 653
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.945
Mackay model : 0.974
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.2241 E-12 cm3/molecule-sec
Half-Life = 0.266 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.191 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.96 (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 : 2.481 L/kg (Kow method)
Log Koc: 0.395 (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 = 0.340 (BCF = 2.188 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9210 days (HL = 0.12 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.256 (BCF = 1.803)
Log BAF Arnot-Gobas method (upper trophic) = 0.256 (BAF = 1.803)
log Kow used: 1.02 (expkow database)
Volatilization from Water:
Henry LC: 9.62E-017 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.071E+013 hours (4.461E+011 days)
Half-Life from Model Lake : 1.168E+014 hours (4.867E+012 days)
Removal In Wastewater Treatment:
Total removal: 1.89 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 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 4.87e-008 6.38 1000
Water 37 1.44e+003 1000
Soil 62.9 2.88e+003 1000
Sediment 0.0896 1.3e+004 0
Persistence Time: 1.43e+003 hr