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CAS Num: 002679-87-0


CHEM : Butane, 2-ethoxy-

MOL FOR: C6 H14 O1

MOL WT : 102.18

------------------------------ 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) = 1.96

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

Boiling Pt (deg C): 82.38 (Adapted Stein & Brown method)

Melting Pt (deg C): -87.05 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 92.8 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.24E+004 (Mean VP of Antoine & Grain methods)

BP (exp database): 81 deg C

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

Water Solubility at 25 deg C (mg/L): 2452

log Kow used: 1.96 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9264 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.68E-003 atm-m3/mole (2.71E+002 Pa-m3/mole)

Group Method: 3.01E-003 atm-m3/mole (3.05E+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: 5.088E-003 atm-m3/mole (5.156E+002 Pa-m3/mole)

VP: 92.8 mm Hg (source: MPBPVP)

WS: 2.45E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.96 (KowWin est)

Log Kaw used: -0.960 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.920

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3515

Biowin2 (Non-Linear Model) : 0.1334

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9647 (weeks )

Biowin4 (Primary Survey Model) : 3.6906 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4590

Biowin6 (MITI Non-Linear Model): 0.5711

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2262

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 1.2E+004 Pa (89.9 mm Hg)

Log Koa (Koawin est ): 2.920

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

Mackay model : 2.5E-010

Octanol/air (Koa) model: 2.04E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.04E-009

Mackay model : 2E-008

Octanol/air (Koa) model: 1.63E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.2126 E-12 cm3/molecule-sec

Half-Life = 0.482 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.778 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.45E-008 (Junge-Pankow, Mackay avg)

1.63E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 28.36 L/kg (MCI method)

Log Koc: 1.453 (MCI method)

Koc : 82.92 L/kg (Kow method)

Log Koc: 1.919 (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 = 0.959 (BCF = 9.095 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6281 days (HL = 0.2354 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.953 (BCF = 8.964)

Log BAF Arnot-Gobas method (upper trophic) = 0.953 (BAF = 8.964)

log Kow used: 1.96 (estimated)

Volatilization from Water:

Henry LC: 0.00301 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.228 hours

Half-Life from Model Lake : 98.16 hours (4.09 days)

Removal In Wastewater Treatment:

Total removal: 55.20 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 1.22 percent

Total to Air: 53.93 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 11.1 11.6 1000

Water 64.2 360 1000

Soil 24.5 720 1000

Sediment 0.193 3.24e+003 0

Persistence Time: 101 hr

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