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CAS Number: 200492-43-9
SMILES : CC=C(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)O)
CO)(C)C)O
CHEM :
MOL FOR: C35 H56 O6
MOL WT : 572.83
------------------------------ 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) = 5.84
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 651.82 (Adapted Stein & Brown method)
Melting Pt (deg C): 283.52 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.01E-019 (Modified Grain method)
VP (Pa, 25 deg C) : 2.69E-017 (Modified Grain method)
Subcooled liquid VP: 1.47E-016 mm Hg (25 deg C, Mod-Grain method)
: 1.95E-014 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.002501
log Kow used: 5.84 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.1389 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.60E-011 atm-m3/mole (2.63E-006 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: 6.058E-017 atm-m3/mole (6.138E-012 Pa-m3/mole)
VP: 2.01E-019 mm Hg (source: MPBPVP)
WS: 0.0025 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.84 (KowWin est)
Log Kaw used: -8.973 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.813
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1804
Biowin2 (Non-Linear Model) : 0.0010
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.4407 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.8474 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6926
Biowin6 (MITI Non-Linear Model): 0.0231
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.8675
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): 1.96E-014 Pa (1.47E-016 mm Hg)
Log Koa (Koawin est ): 14.813
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.53E+008
Octanol/air (Koa) model: 160
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 = 178.6349 E-12 cm3/molecule-sec
Half-Life = 0.060 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.719 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 14.787499 E-17 cm3/molecule-sec
Half-Life = 0.077 Days (at 7E11 mol/cm3)
Half-Life = 1.860 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 : 3.229E+006 L/kg (MCI method)
Log Koc: 6.509 (MCI method)
Koc : 1849 L/kg (Kow method)
Log Koc: 3.267 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.874E-004 L/mol-sec
Kb Half-Life at pH 8: 45.060 years
Kb Half-Life at pH 7: 450.601 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.519 (BCF = 3303 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6912 days (HL = 4.911 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.225 (BCF = 1677)
Log BAF Arnot-Gobas method (upper trophic) = 3.467 (BAF = 2934)
log Kow used: 5.84 (estimated)
Volatilization from Water:
Henry LC: 2.6E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 5.39E+007 hours (2.246E+006 days)
Half-Life from Model Lake : 5.88E+008 hours (2.45E+007 days)
Removal In Wastewater Treatment:
Total removal: 91.33 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 90.57 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 0.00353 0.811 1000
Water 0.823 4.32e+003 1000
Soil 40.5 8.64e+003 1000
Sediment 58.6 3.89e+004 0
Persistence Time: 1.06e+004 hr