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: 79786-00-8
SMILES : C1C2C(C3C(C(O2)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5c6c(c(c(cc6C(
=O)O3)O)O)O)O)O)O)OC(=O)c7cc(c(c(c7c8c(c(c(cc8C(=O)O1)O)O)O)O)O)O
CHEM :
MOL FOR: C41 H28 O26
MOL WT : 936.66
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 0.75
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 1523.56 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0 (Modified Grain method)
VP (Pa, 25 deg C) : 0 (Modified Grain method)
Subcooled liquid VP: 2.1E-043 mm Hg (25 deg C, Mod-Grain method)
: 2.8E-041 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.05985
log Kow used: 0.75 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 9.3666e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Phenols, Poly
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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]:
not available
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 2.5623
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6673 (weeks-months)
Biowin4 (Primary Survey Model) : 4.2268 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7404
Biowin6 (MITI Non-Linear Model): 0.0085
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 2.1536
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): 2.8E-041 Pa (2.1E-043 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.07E+035
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 259.2192 E-12 cm3/molecule-sec
Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 29.709 Min
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1E+010 L/kg (MCI method)
Log Koc: 12.112 (MCI method)
Koc : 4177 L/kg (Kow method)
Log Koc: 3.621 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.460E-001 L/mol-sec
Kb Half-Life at pH 8: 32.612 days
Kb Half-Life at pH 7: 326.124 days
(Total Kb applies only to esters, carbmates, alkyl halides)
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) = -14.1765 days (HL = 6.661e-015 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.001 (BCF = 0.9977)
Log BAF Arnot-Gobas method (upper trophic) = -0.001 (BAF = 0.9977)
log Kow used: 0.75 (estimated)
Volatilization from Water:
Henry LC: 2.06E-014 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 8.702E+010 hours (3.626E+009 days)
Half-Life from Model Lake : 9.493E+011 hours (3.955E+010 days)
Removal In Wastewater Treatment:
Total removal: 1.87 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.78 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 0.0103 0.99 1000
Water 1.68 900 1000
Soil 31.3 1.8e+003 1000
Sediment 67 8.1e+003 0
Persistence Time: 3.4e+003 hr