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: 34335-98-3
SMILES : CC=C(C)C(=O)OC1CC(C2(Cc3c(CC2C1)occ3C)C)C
CHEM :
MOL FOR: C20 H28 O3
MOL WT : 316.44
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 6.55
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 371.80 (Adapted Stein & Brown method)
Melting Pt (deg C): 125.16 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000534 (Modified Grain method)
Subcooled liquid VP: 3.99E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00531 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.02516
log Kow used: 6.55 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.082128 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.18E-005 atm-m3/mole (4.23E+000 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: 6.620E-005 atm-m3/mole (6.707E+000 Pa-m3/mole)
VP: 4E-006 mm Hg (source: MPBPVP)
WS: 0.0252 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.55 (KowWin est)
Log Kaw used: -2.767 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.317
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7512
Biowin2 (Non-Linear Model) : 0.9310
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2034 (months )
Biowin4 (Primary Survey Model) : 3.2611 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2050
Biowin6 (MITI Non-Linear Model): 0.0324
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5506
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): 0.00532 Pa (3.99E-005 mm Hg)
Log Koa (Koawin est ): 9.317
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000564
Octanol/air (Koa) model: 0.000509
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.02
Mackay model : 0.0432
Octanol/air (Koa) model: 0.0392
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 204.4557 E-12 cm3/molecule-sec
Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.628 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.0316 (Junge-Pankow, Mackay avg)
0.0392 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 9.059E+004 L/kg (MCI method)
Log Koc: 4.957 (MCI method)
Koc : 3.037E+004 L/kg (Kow method)
Log Koc: 4.483 (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 = 3.987 (BCF = 9712 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2455 days (HL = 1.76 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.622 (BCF = 419.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.805 (BAF = 637.7)
log Kow used: 6.55 (estimated)
Volatilization from Water:
Henry LC: 4.18E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 26.73 hours (1.114 days)
Half-Life from Model Lake : 440.8 hours (18.37 days)
Removal In Wastewater Treatment:
Total removal: 93.50 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.71 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.021 0.939 1000
Water 6.46 1.44e+003 1000
Soil 58 2.88e+003 1000
Sediment 35.6 1.3e+004 0
Persistence Time: 2.39e+003 hr