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CAS Num: 024317-95-1
SMILES : CCOC(=O)C(CCCCCCCC)C(=O)C
CHEM :
MOL FOR: C14 H26 O3
MOL WT : 242.36
------------------------------ 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) = 3.65
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 301.67 (Adapted Stein & Brown method)
Melting Pt (deg C): 57.06 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000901 (Modified Grain method)
VP (Pa, 25 deg C) : 0.12 (Modified Grain method)
Subcooled liquid VP: 0.00179 mm Hg (25 deg C, Mod-Grain method)
: 0.238 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 19.83
log Kow used: 3.65 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 30.034 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.51E-006 atm-m3/mole (1.53E-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: 1.449E-005 atm-m3/mole (1.468E+000 Pa-m3/mole)
VP: 0.000901 mm Hg (source: MPBPVP)
WS: 19.8 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.65 (KowWin est)
Log Kaw used: -4.209 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.859
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9216
Biowin2 (Non-Linear Model) : 0.9936
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0797 (weeks )
Biowin4 (Primary Survey Model) : 3.9739 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7985
Biowin6 (MITI Non-Linear Model): 0.9005
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1017
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): 0.239 Pa (0.00179 mm Hg)
Log Koa (Koawin est ): 7.859
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.26E-005
Octanol/air (Koa) model: 1.77E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000454
Mackay model : 0.001
Octanol/air (Koa) model: 0.00142
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 15.1802 E-12 cm3/molecule-sec
Half-Life = 0.705 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.455 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000729 (Junge-Pankow, Mackay avg)
0.00142 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 258 L/kg (MCI method)
Log Koc: 2.412 (MCI method)
Koc : 1186 L/kg (Kow method)
Log Koc: 3.074 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.371E-002 L/mol-sec
Kb Half-Life at pH 8: 183.520 days
Kb Half-Life at pH 7: 5.024 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.077 (BCF = 119.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2050 days (HL = 0.06237 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.409 (BCF = 25.62)
Log BAF Arnot-Gobas method (upper trophic) = 1.409 (BAF = 25.62)
log Kow used: 3.65 (estimated)
Volatilization from Water:
Henry LC: 1.51E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 605.2 hours (25.22 days)
Half-Life from Model Lake : 6733 hours (280.5 days)
Removal In Wastewater Treatment:
Total removal: 16.98 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 16.70 percent
Total to Air: 0.07 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.36 16.9 1000
Water 25.5 360 1000
Soil 72.9 720 1000
Sediment 0.295 3.24e+003 0
Persistence Time: 467 hr