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CAS Num: 000124-17-4
SMILES : O=C(OCCOCCOCCCC)C
CHEM : Ethanol, 2-(2-butoxyethoxy)-, acetate
MOL FOR: C10 H20 O4
MOL WT : 204.27
------------------------------ 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) = 1.30
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 249.10 (Adapted Stein & Brown method)
Melting Pt (deg C): 23.94 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0355 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.74 (Mean VP of Antoine & Grain methods)
MP (exp database): -32 deg C
BP (exp database): 245 deg C
VP (exp database): 4.00E-02 mm Hg (5.33E+000 Pa) at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3243
log Kow used: 1.30 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 3.1e+004 mg/L (25 deg C)
Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 19173 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.91E-008 atm-m3/mole (1.00E-002 Pa-m3/mole)
Group Method: 1.44E-009 atm-m3/mole (1.46E-004 Pa-m3/mole)
Exper Database: 3.47E-07 atm-m3/mole (3.52E-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: 2.942E-006 atm-m3/mole (2.981E-001 Pa-m3/mole)
VP: 0.0355 mm Hg (source: MPBPVP)
WS: 3.24E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.30 (KowWin est)
Log Kaw used: -4.848 (exp database)
Log Koa (KOAWIN v1.10 estimate): 6.148
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2382
Biowin2 (Non-Linear Model) : 0.3042
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1690 (weeks )
Biowin4 (Primary Survey Model) : 4.0316 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7979
Biowin6 (MITI Non-Linear Model): 0.8706
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1985
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): 5.33 Pa (0.04 mm Hg)
Log Koa (Koawin est ): 6.148
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.63E-007
Octanol/air (Koa) model: 3.45E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.03E-005
Mackay model : 4.5E-005
Octanol/air (Koa) model: 2.76E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.2484 E-12 cm3/molecule-sec
Half-Life = 0.303 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.641 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.27E-005 (Junge-Pankow, Mackay avg)
2.76E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 12.27 L/kg (MCI method)
Log Koc: 1.089 (MCI method)
Koc : 24.97 L/kg (Kow method)
Log Koc: 1.397 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec
Kb Half-Life at pH 8: 30.478 days
Kb Half-Life at pH 7: 304.777 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.523 (BCF = 3.335 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7754 days (HL = 0.01677 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.219 (BCF = 1.655)
Log BAF Arnot-Gobas method (upper trophic) = 0.219 (BAF = 1.655)
log Kow used: 1.30 (estimated)
Volatilization from Water:
Henry LC: 3.47E-007 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 2413 hours (100.5 days)
Half-Life from Model Lake : 2.644E+004 hours (1102 days)
Removal In Wastewater Treatment:
Total removal: 1.95 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.83 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.784 7.28 1000
Water 37.8 360 1000
Soil 61.3 720 1000
Sediment 0.0887 3.24e+003 0
Persistence Time: 397 hr