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: 55750-84-0
SMILES : CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O
)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O
CHEM :
MOL FOR: C38 H54 O19
MOL WT : 814.84
------------------------------ 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) = -2.07
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 1066.85 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.35E-035 (Modified Grain method)
VP (Pa, 25 deg C) : 4.47E-033 (Modified Grain method)
Subcooled liquid VP: 1.72E-031 mm Hg (25 deg C, Mod-Grain method)
: 2.29E-029 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 346.3
log Kow used: -2.07 (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:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.61E-032 atm-m3/mole (1.63E-027 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: 3.096E-033 atm-m3/mole (3.137E-028 Pa-m3/mole)
VP: 1E-030 mm Hg (source: MPBPVP)
WS: 346 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -2.07 (KowWin est)
Log Kaw used: -30.182 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 28.112
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0646
Biowin2 (Non-Linear Model) : 0.1389
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4039 (days-weeks )
Biowin4 (Primary Survey Model) : 4.5150 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.1523
Biowin6 (MITI Non-Linear Model): 0.0031
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2274
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): 2.29E-029 Pa (1.72E-031 mm Hg)
Log Koa (Koawin est ): 28.112
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.31E+023
Octanol/air (Koa) model: 3.18E+015
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 = 575.5377 E-12 cm3/molecule-sec
Half-Life = 0.019 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 13.381 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 16.932501 E-17 cm3/molecule-sec
Half-Life = 0.068 Days (at 7E11 mol/cm3)
Half-Life = 1.624 Hrs
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 : 8.125E+005 L/kg (MCI method)
Log Koc: 5.910 (MCI method)
Koc : 0.02908 L/kg (Kow method)
Log Koc: -1.536 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.075E-005 L/mol-sec
Kb Half-Life at pH 8: 242.026 years
Kb Half-Life at pH 7: 2420.259 years
(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) = -4.2757 days (HL = 5.3e-005 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)
log Kow used: -2.07 (estimated)
Volatilization from Water:
Henry LC: 1.61E-032 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.038E+029 hours (4.325E+027 days)
Half-Life from Model Lake : 1.132E+030 hours (4.718E+028 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 0.0286 0.35 1000
Water 8.38 208 1000
Soil 35.5 416 1000
Sediment 56.1 1.87e+003 0
Persistence Time: 574 hr