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CAS Number: 111-35-3

SMILES : CCOCCCO

CHEM : 3-Ethoxy-1-propanol

MOL FOR: C5 H12 O2

MOL WT : 104.15

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 0.08

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

Boiling Pt (deg C): 159.94 (Adapted Stein & Brown method)

Melting Pt (deg C): -32.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.028 (Modified Grain method)

VP (Pa, 25 deg C) : 3.74 (Modified Grain method)

MP (exp database): 160.5 deg C

Subcooled liquid VP: 0.688 mm Hg (25 deg C, Mod-Grain method)

: 91.8 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 3.169e+005

log Kow used: 0.08 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.7138e+005 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 7.38E-008 atm-m3/mole (7.47E-003 Pa-m3/mole)

Group Method: 1.47E-008 atm-m3/mole (1.49E-003 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: 1.211E-008 atm-m3/mole (1.227E-003 Pa-m3/mole)

VP: 0.028 mm Hg (source: MPBPVP)

WS: 3.17E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.08 (KowWin est)

Log Kaw used: -5.520 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.600

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5093

Biowin2 (Non-Linear Model) : 0.3139

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1203 (weeks )

Biowin4 (Primary Survey Model) : 3.8172 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7630

Biowin6 (MITI Non-Linear Model): 0.8960

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7360

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): 91.7 Pa (0.688 mm Hg)

Log Koa (Koawin est ): 5.600

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

Mackay model : 3.27E-008

Octanol/air (Koa) model: 9.77E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.18E-006

Mackay model : 2.62E-006

Octanol/air (Koa) model: 7.82E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.3629 E-12 cm3/molecule-sec

Half-Life = 0.501 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.008 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.9E-006 (Junge-Pankow, Mackay avg)

7.82E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.549 L/kg (MCI method)

Log Koc: 0.190 (MCI method)

Koc : 2.933 L/kg (Kow method)

Log Koc: 0.467 (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 v3.01):

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

Log Biotransformation Half-life (HL) = -1.5239 days (HL = 0.02993 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.017 (BCF = 0.962)

Log BAF Arnot-Gobas method (upper trophic) = -0.017 (BAF = 0.962)

log Kow used: 0.08 (estimated)

Volatilization from Water:

Henry LC: 1.47E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.065E+004 hours (1694 days)

Half-Life from Model Lake : 4.435E+005 hours (1.848E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.275 11.7 1000

Water 38.8 360 1000

Soil 60.8 720 1000

Sediment 0.0735 3.24e+003 0

Persistence Time: 523 hr

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