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CAS Number: 30982-35-5
SMILES : O=C(OCCC(C(CC1C2)C1(C)C)=C2)Cc(cccc3)c3
CHEM : Benzeneacetic acid, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl
ester
MOL FOR: C19 H24 O2
MOL WT : 284.40
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 6.01
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 359.57 (Adapted Stein & Brown method)
Melting Pt (deg C): 119.12 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.12E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00122 (Modified Grain method)
Subcooled liquid VP: 7.82E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0104 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1118
log Kow used: 6.01 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.060361 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.86E-005 atm-m3/mole (4.92E+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: 3.053E-005 atm-m3/mole (3.093E+000 Pa-m3/mole)
VP: 9.12E-006 mm Hg (source: MPBPVP)
WS: 0.112 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.01 (KowWin est)
Log Kaw used: -2.702 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.712
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7852
Biowin2 (Non-Linear Model) : 0.9759
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4459 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4493 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4330
Biowin6 (MITI Non-Linear Model): 0.2274
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0489
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): 0.0104 Pa (7.82E-005 mm Hg)
Log Koa (Koawin est ): 8.712
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000288
Octanol/air (Koa) model: 0.000126
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0103
Mackay model : 0.0225
Octanol/air (Koa) model: 0.01
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 97.1223 E-12 cm3/molecule-sec
Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.322 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.0164 (Junge-Pankow, Mackay avg)
0.01 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.569E+004 L/kg (MCI method)
Log Koc: 4.553 (MCI method)
Koc : 1.527E+004 L/kg (Kow method)
Log Koc: 4.184 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.026E-001 L/mol-sec
Kb Half-Life at pH 8: 39.599 days
Kb Half-Life at pH 7: 1.084 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.631 (BCF = 4277 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1665 days (HL = 1.467 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.702 (BCF = 503.6)
Log BAF Arnot-Gobas method (upper trophic) = 2.748 (BAF = 560.2)
log Kow used: 6.01 (estimated)
Volatilization from Water:
Henry LC: 4.86E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 22.04 hours
Half-Life from Model Lake : 381.8 hours (15.91 days)
Removal In Wastewater Treatment:
Total removal: 92.21 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 91.39 percent
Total to Air: 0.05 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0223 0.515 1000
Water 11.1 900 1000
Soil 67.5 1.8e+003 1000
Sediment 21.3 8.1e+003 0
Persistence Time: 1.28e+003 hr