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CAS Num: 067633-98-1
SMILES : O=C(OCC(=CCCC(C(C(C1)CC2)=C)(C12)C)C)CCC
CHEM : Butanoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo 2.2.1 hept-2-y
l)-2-pentenyl ester
MOL FOR: C19 H30 O2
MOL WT : 290.45
------------------------------ 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) = 7.17
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 341.94 (Adapted Stein & Brown method)
Melting Pt (deg C): 102.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.56E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00475 (Modified Grain method)
Subcooled liquid VP: 0.000205 mm Hg (25 deg C, Mod-Grain method)
: 0.0273 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.01057
log Kow used: 7.17 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.027513 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.90E-003 atm-m3/mole (2.94E+002 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: 1.287E-003 atm-m3/mole (1.304E+002 Pa-m3/mole)
VP: 3.56E-005 mm Hg (source: MPBPVP)
WS: 0.0106 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.17 (KowWin est)
Log Kaw used: -0.926 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.096
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5995
Biowin2 (Non-Linear Model) : 0.7757
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4854 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5042 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6104
Biowin6 (MITI Non-Linear Model): 0.4324
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0632
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): 0.0273 Pa (0.000205 mm Hg)
Log Koa (Koawin est ): 8.096
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00011
Octanol/air (Koa) model: 3.06E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00395
Mackay model : 0.0087
Octanol/air (Koa) model: 0.00244
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 149.4001 E-12 cm3/molecule-sec
Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.859 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 44.137501 E-17 cm3/molecule-sec
Half-Life = 0.026 Days (at 7E11 mol/cm3)
Half-Life = 37.389 Min
Fraction sorbed to airborne particulates (phi):
0.00633 (Junge-Pankow, Mackay avg)
0.00244 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.161E+004 L/kg (MCI method)
Log Koc: 4.500 (MCI method)
Koc : 6.69E+004 L/kg (Kow method)
Log Koc: 4.825 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.798E-001 L/mol-sec
Kb Half-Life at pH 8: 44.625 days
Kb Half-Life at pH 7: 1.222 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 4.042 (BCF = 1.102e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9762 days (HL = 9.467 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.948 (BCF = 887.4)
Log BAF Arnot-Gobas method (upper trophic) = 4.532 (BAF = 3.407e+004)
log Kow used: 7.17 (estimated)
Volatilization from Water:
Henry LC: 0.0029 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.083 hours
Half-Life from Model Lake : 165.6 hours (6.901 days)
Removal In Wastewater Treatment:
Total removal: 93.93 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.00 percent
Total to Air: 0.15 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0302 0.457 1000
Water 10 900 1000
Soil 79.4 1.8e+003 1000
Sediment 10.6 8.1e+003 0
Persistence Time: 1.05e+003 hr