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CAS Num: 067874-76-4
SMILES : O=C(Oc(ccc(c1)C)c1)CCCCCCCCC=C
CHEM : 10-Undecenoic acid, 4-methylphenyl ester
MOL FOR: C18 H26 O2
MOL WT : 274.41
------------------------------ 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) = 6.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 351.04 (Adapted Stein & Brown method)
Melting Pt (deg C): 95.14 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.61E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00348 (Modified Grain method)
Subcooled liquid VP: 0.000125 mm Hg (25 deg C, Mod-Grain method)
: 0.0166 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.05669
log Kow used: 6.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.023938 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.83E-004 atm-m3/mole (6.92E+001 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: 1.662E-004 atm-m3/mole (1.684E+001 Pa-m3/mole)
VP: 2.61E-005 mm Hg (source: MPBPVP)
WS: 0.0567 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.42 (KowWin est)
Log Kaw used: -1.554 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.974
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8458
Biowin2 (Non-Linear Model) : 0.9774
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6581 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6123 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7277
Biowin6 (MITI Non-Linear Model): 0.7956
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2418
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): 0.0167 Pa (0.000125 mm Hg)
Log Koa (Koawin est ): 7.974
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00018
Octanol/air (Koa) model: 2.31E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00646
Mackay model : 0.0142
Octanol/air (Koa) model: 0.00185
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.1581 E-12 cm3/molecule-sec
Half-Life = 0.266 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.196 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
0.0103 (Junge-Pankow, Mackay avg)
0.00185 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.342E+004 L/kg (MCI method)
Log Koc: 4.370 (MCI method)
Koc : 2.574E+004 L/kg (Kow method)
Log Koc: 4.411 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.057E-001 L/mol-sec
Kb Half-Life at pH 8: 38.993 days
Kb Half-Life at pH 7: 1.068 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.529 (BCF = 338.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1908 days (HL = 1.552 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.619 (BCF = 415.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.737 (BAF = 545.2)
log Kow used: 6.42 (estimated)
Volatilization from Water:
Henry LC: 0.000683 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.11 hours
Half-Life from Model Lake : 172.8 hours (7.201 days)
Removal In Wastewater Treatment:
Total removal: 93.35 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.36 percent
Total to Air: 0.22 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.307 5 1000
Water 9 900 1000
Soil 80 1.8e+003 1000
Sediment 10.7 8.1e+003 0
Persistence Time: 1.07e+003 hr