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CAS Num: 001109-11-1
SMILES : C1(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OCC)C(C)(C)CCC1
CHEM :
MOL FOR: C32 H44 O2
MOL WT : 460.71
------------------------------ 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) = 12.79
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 514.33 (Adapted Stein & Brown method)
Melting Pt (deg C): 183.41 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.65E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 3.53E-008 (Modified Grain method)
Subcooled liquid VP: 1.19E-008 mm Hg (25 deg C, Mod-Grain method)
: 1.59E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.512e-008
log Kow used: 12.79 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.7722e-005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.52E-002 atm-m3/mole (2.55E+003 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: 1.062E-002 atm-m3/mole (1.077E+003 Pa-m3/mole)
VP: 2.65E-010 mm Hg (source: MPBPVP)
WS: 1.51E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 12.79 (KowWin est)
Log Kaw used: 0.013 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.777
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5185
Biowin2 (Non-Linear Model) : 0.2356
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1092 (months )
Biowin4 (Primary Survey Model) : 3.2586 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0610
Biowin6 (MITI Non-Linear Model): 0.0018
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.1792
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): 1.59E-006 Pa (1.19E-008 mm Hg)
Log Koa (Koawin est ): 12.777
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.89
Octanol/air (Koa) model: 1.47
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.986
Mackay model : 0.993
Octanol/air (Koa) model: 0.992
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 665.3290 E-12 cm3/molecule-sec
Half-Life = 0.016 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.575 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 51.154999 E-17 cm3/molecule-sec
Half-Life = 0.022 Days (at 7E11 mol/cm3)
Half-Life = 32.260 Min
Fraction sorbed to airborne particulates (phi):
0.99 (Junge-Pankow, Mackay avg)
0.992 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4.745E+007 L/kg (MCI method)
Log Koc: 7.676 (MCI method)
Koc : 8.591E+007 L/kg (Kow method)
Log Koc: 7.934 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.954E-003 L/mol-sec
Kb Half-Life at pH 8: 11.238 years
Kb Half-Life at pH 7: 112.381 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.285 (BCF = 19.28 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.6146 days (HL = 4117 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.007 (BCF = 1.017)
Log BAF Arnot-Gobas method (upper trophic) = 2.790 (BAF = 616.7)
log Kow used: 12.79 (estimated)
Volatilization from Water:
Henry LC: 0.0252 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.24 hours
Half-Life from Model Lake : 204.4 hours (8.517 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.00657 0.225 1000
Water 13.9 1.44e+003 1000
Soil 86 2.88e+003 1000
Sediment 0.171 1.3e+004 0
Persistence Time: 1.62e+003 hr