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CAS Num: 036685-97-9
SMILES : CCCCCCCCCCOC(=O)c1ccccc1
CHEM :
MOL FOR: C17 H26 O2
MOL WT : 262.40
------------------------------ 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) = 6.25
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 340.18 (Adapted Stein & Brown method)
Melting Pt (deg C): 80.95 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.6E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00879 (Modified Grain method)
Subcooled liquid VP: 0.000225 mm Hg (25 deg C, Mod-Grain method)
: 0.0301 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.09308
log Kow used: 6.25 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.098864 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.45E-004 atm-m3/mole (4.50E+001 Pa-m3/mole)
Group Method: 3.88E-004 atm-m3/mole (3.93E+001 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: 2.448E-004 atm-m3/mole (2.481E+001 Pa-m3/mole)
VP: 6.6E-005 mm Hg (source: MPBPVP)
WS: 0.0931 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.25 (KowWin est)
Log Kaw used: -1.740 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.990
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0333
Biowin2 (Non-Linear Model) : 0.9991
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0799 (weeks )
Biowin4 (Primary Survey Model) : 3.9721 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7615
Biowin6 (MITI Non-Linear Model): 0.8679
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5856
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): 0.03 Pa (0.000225 mm Hg)
Log Koa (Koawin est ): 7.990
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0001
Octanol/air (Koa) model: 2.4E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0036
Mackay model : 0.00794
Octanol/air (Koa) model: 0.00192
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 13.6759 E-12 cm3/molecule-sec
Half-Life = 0.782 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.385 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00577 (Junge-Pankow, Mackay avg)
0.00192 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.49E+004 L/kg (MCI method)
Log Koc: 4.173 (MCI method)
Koc : 2.073E+004 L/kg (Kow method)
Log Koc: 4.317 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.427E-002 L/mol-sec
Kb Half-Life at pH 8: 1.539 years
Kb Half-Life at pH 7: 15.388 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.415 (BCF = 260.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2523 days (HL = 0.5594 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.238 (BCF = 172.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.250 (BAF = 177.8)
log Kow used: 6.25 (estimated)
Volatilization from Water:
Henry LC: 0.000388 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 4.097 hours
Half-Life from Model Lake : 180.5 hours (7.522 days)
Removal In Wastewater Treatment:
Total removal: 93.00 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.04 percent
Total to Air: 0.20 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.02 18.8 1000
Water 16.5 360 1000
Soil 74.8 720 1000
Sediment 6.65 3.24e+003 0
Persistence Time: 462 hr