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CAS Number: 1569-01-3

SMILES : O(CC(O)C)CCC

CHEM : 2-Propanol, 1-propoxy-

MOL FOR: C6 H14 O2

MOL WT : 118.18

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 0.49

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

Boiling Pt (deg C): 161.53 (Adapted Stein & Brown method)

Melting Pt (deg C): -33.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.35 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 180 (Mean VP of Antoine & Grain methods)

MP (exp database): -80 deg C

BP (exp database): 150 deg C

VP (exp database): 1.70E+00 mm Hg (2.27E+002 Pa) at 20 deg C

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

Water Solubility at 25 deg C (mg/L): 1.251e+005

log Kow used: 0.49 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)

Exper. Ref: BROWN,ES ET AL. (1980)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.603e+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: 3.46E-008 atm-m3/mole (3.50E-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: 1.678E-006 atm-m3/mole (1.700E-001 Pa-m3/mole)

VP: 1.35 mm Hg (source: MPBPVP)

WS: 1.25E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.49 (KowWin est)

Log Kaw used: -5.398 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.888

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5027

Biowin2 (Non-Linear Model) : 0.2727

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0893 (weeks )

Biowin4 (Primary Survey Model) : 3.7969 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6216

Biowin6 (MITI Non-Linear Model): 0.7753

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4646

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): 227 Pa (1.7 mm Hg)

Log Koa (Koawin est ): 5.888

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

Mackay model : 1.32E-008

Octanol/air (Koa) model: 1.9E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.78E-007

Mackay model : 1.06E-006

Octanol/air (Koa) model: 1.52E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.1109 E-12 cm3/molecule-sec

Half-Life = 0.410 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.916 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.68E-007 (Junge-Pankow, Mackay avg)

1.52E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.375 L/kg (MCI method)

Log Koc: 0.376 (MCI method)

Koc : 4.944 L/kg (Kow method)

Log Koc: 0.694 (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) = -1.4018 days (HL = 0.03964 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.039 (BCF = 1.095)

Log BAF Arnot-Gobas method (upper trophic) = 0.039 (BAF = 1.095)

log Kow used: 0.49 (estimated)

Volatilization from Water:

Henry LC: 3.46E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.84E+004 hours (766.5 days)

Half-Life from Model Lake : 2.008E+005 hours (8366 days)

Removal In Wastewater Treatment:

Total removal: 1.86 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 0.482 9.83 1000

Water 39.7 360 1000

Soil 59.7 720 1000

Sediment 0.0767 3.24e+003 0

Persistence Time: 471 hr

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