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CAS Number: 55750-85-1
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)O
CHEM :
MOL FOR: C32 H44 O14
MOL WT : 652.70
------------------------------ 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) = 1.13
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 889.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.09E-028 (Modified Grain method)
VP (Pa, 25 deg C) : 1.46E-026 (Modified Grain method)
Subcooled liquid VP: 5.59E-025 mm Hg (25 deg C, Mod-Grain method)
: 7.46E-023 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 19.51
log Kow used: 1.13 (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-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.76E-027 atm-m3/mole (1.78E-022 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: 4.798E-030 atm-m3/mole (4.862E-025 Pa-m3/mole)
VP: 1.09E-028 mm Hg (source: MPBPVP)
WS: 19.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.13 (KowWin est)
Log Kaw used: -25.143 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 26.273
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7527
Biowin2 (Non-Linear Model) : 0.0180
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3554 (days-weeks )
Biowin4 (Primary Survey Model) : 4.3975 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7144
Biowin6 (MITI Non-Linear Model): 0.0022
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7453
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): 7.45E-023 Pa (5.59E-025 mm Hg)
Log Koa (Koawin est ): 26.273
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.03E+016
Octanol/air (Koa) model: 4.6E+013
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 = 499.4661 E-12 cm3/molecule-sec
Half-Life = 0.021 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 15.419 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 : 5294 L/kg (MCI method)
Log Koc: 3.724 (MCI method)
Koc : 0.4173 L/kg (Kow method)
Log Koc: -0.380 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.537E-005 L/mol-sec
Kb Half-Life at pH 8: 484.052 years
Kb Half-Life at pH 7: 4840.518 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) = -1.5783 days (HL = 0.02641 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.200 (BCF = 1.586)
Log BAF Arnot-Gobas method (upper trophic) = 0.200 (BAF = 1.586)
log Kow used: 1.13 (estimated)
Volatilization from Water:
Henry LC: 1.76E-027 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.499E+023 hours (3.541E+022 days)
Half-Life from Model Lake : 9.271E+024 hours (3.863E+023 days)
Removal In Wastewater Treatment:
Total removal: 1.90 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.81 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 0.0512 0.39 1000
Water 24.9 208 1000
Soil 72.5 416 1000
Sediment 2.57 1.87e+003 0
Persistence Time: 312 hr