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CAS Num: 000111-76-2


CHEM : Ethanol, 2-butoxy-

MOL FOR: C6 H14 O2

MOL WT : 118.18

------------------------------ 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) = 0.57

Log Kow (Exper. database match) = 0.83

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 181.14 (Adapted Stein & Brown method)

Melting Pt (deg C): -20.31 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.475 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 63.3 (Mean VP of Antoine & Grain methods)

MP (exp database): -74.8 deg C

BP (exp database): 168.4 deg C

VP (exp database): 8.80E-01 mm Hg (1.17E+002 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 6.447e+004

log Kow used: 0.83 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C)

Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.5532e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 9.79E-008 atm-m3/mole (9.92E-003 Pa-m3/mole)

Group Method: 2.08E-008 atm-m3/mole (2.11E-003 Pa-m3/mole)

Exper Database: 1.60E-06 atm-m3/mole (1.62E-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: 1.146E-006 atm-m3/mole (1.161E-001 Pa-m3/mole)

VP: 0.475 mm Hg (source: MPBPVP)

WS: 6.45E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 0.83 (exp database)

Log Kaw used: -4.184 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.014

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6111

Biowin2 (Non-Linear Model) : 0.7032

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3877 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0660 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7707

Biowin6 (MITI Non-Linear Model): 0.8982

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4442

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): 117 Pa (0.88 mm Hg)

Log Koa (Koawin est ): 5.014

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 2.56E-008

Octanol/air (Koa) model: 2.54E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.24E-007

Mackay model : 2.05E-006

Octanol/air (Koa) model: 2.03E-006

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.5134 E-12 cm3/molecule-sec

Half-Life = 0.455 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.459 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.48E-006 (Junge-Pankow, Mackay avg)

2.03E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.823 L/kg (MCI method)

Log Koc: 0.451 (MCI method)

Koc : 7.624 L/kg (Kow method)

Log Koc: 0.882 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2697 days (HL = 0.05375 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.139 (BCF = 1.376)

Log BAF Arnot-Gobas method (upper trophic) = 0.139 (BAF = 1.376)

log Kow used: 0.83 (expkow database)

Volatilization from Water:

Henry LC: 1.6E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 398.9 hours (16.62 days)

Half-Life from Model Lake : 4443 hours (185.1 days)

Removal In Wastewater Treatment:

Total removal: 1.96 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.78 percent

Total to Air: 0.09 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.35 13.8 1000

Water 40.9 208 1000

Soil 56.7 416 1000

Sediment 0.0751 1.87e+003 0

Persistence Time: 242 hr

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