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CAS Num: 068480-27-3
SMILES : O=C(OCC=CCCCCCCCC)C
CHEM : 2-Undecen-1-ol, acetate
MOL FOR: C13 H24 O2
MOL WT : 212.34
------------------------------ 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) = 5.07
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 269.99 (Adapted Stein & Brown method)
Melting Pt (deg C): 22.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00923 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.23 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.771
log Kow used: 5.07 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.0485 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 : 2.62E-003 atm-m3/mole (2.66E+002 Pa-m3/mole)
Group Method: 2.13E-003 atm-m3/mole (2.16E+002 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.456E-003 atm-m3/mole (1.475E+002 Pa-m3/mole)
VP: 0.00923 mm Hg (source: MPBPVP)
WS: 1.77 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.07 (KowWin est)
Log Kaw used: -0.970 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.040
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9291
Biowin2 (Non-Linear Model) : 0.9973
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1685 (weeks )
Biowin4 (Primary Survey Model) : 4.0394 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8327
Biowin6 (MITI Non-Linear Model): 0.9148
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5919
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.26 Pa (0.00946 mm Hg)
Log Koa (Koawin est ): 6.040
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.38E-006
Octanol/air (Koa) model: 2.69E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.59E-005
Mackay model : 0.00019
Octanol/air (Koa) model: 2.15E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 67.4667 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 75.0667 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.902 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.710 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000138 (Junge-Pankow, Mackay avg)
2.15E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1238 L/kg (MCI method)
Log Koc: 3.093 (MCI method)
Koc : 4612 L/kg (Kow method)
Log Koc: 3.664 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.467E-001 L/mol-sec
Kb Half-Life at pH 8: 23.141 days
Kb Half-Life at pH 7: 231.410 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.637 (BCF = 43.38 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3686 days (HL = 0.4279 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.245 (BCF = 175.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.246 (BAF = 176.1)
log Kow used: 5.07 (estimated)
Volatilization from Water:
Henry LC: 0.00213 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.888 hours
Half-Life from Model Lake : 142.8 hours (5.949 days)
Removal In Wastewater Treatment:
Total removal: 83.81 percent
Total biodegradation: 0.58 percent
Total sludge adsorption: 73.12 percent
Total to Air: 10.12 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.321 1.36 1000
Water 19.5 360 1000
Soil 79.3 720 1000
Sediment 0.827 3.24e+003 0
Persistence Time: 333 hr