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CAS Number: 38553-82-1

SMILES : CC=C(O)CC

CHEM : pent-2-en-3-ol

MOL FOR: C5 H10 O1

MOL WT : 86.13

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 1.70

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

Boiling Pt (deg C): 154.09 (Adapted Stein & Brown method)

Melting Pt (deg C): -54.48 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.07 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 143 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 4523

log Kow used: 1.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1886.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 9.25E-005 atm-m3/mole (9.38E+000 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.681E-005 atm-m3/mole (2.717E+000 Pa-m3/mole)

VP: 1.07 mm Hg (source: MPBPVP)

WS: 4.52E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.70 (KowWin est)

Log Kaw used: -2.422 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.122

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8653

Biowin2 (Non-Linear Model) : 0.9480

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1688 (weeks )

Biowin4 (Primary Survey Model) : 3.8529 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6735

Biowin6 (MITI Non-Linear Model): 0.8235

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7622

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): 128 Pa (0.961 mm Hg)

Log Koa (Koawin est ): 4.122

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

Mackay model : 2.34E-008

Octanol/air (Koa) model: 3.25E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.46E-007

Mackay model : 1.87E-006

Octanol/air (Koa) model: 2.6E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 88.2773 E-12 cm3/molecule-sec

Half-Life = 0.121 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.454 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec

Half-Life = 0.155 Days (at 7E11 mol/cm3)

Half-Life = 3.720 Hrs

Fraction sorbed to airborne particulates (phi):

1.36E-006 (Junge-Pankow, Mackay avg)

2.6E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.568 L/kg (MCI method)

Log Koc: 0.746 (MCI method)

Koc : 28.44 L/kg (Kow method)

Log Koc: 1.454 (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 = 0.786 (BCF = 6.113 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6849 days (HL = 0.2066 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.732 (BCF = 5.394)

Log BAF Arnot-Gobas method (upper trophic) = 0.732 (BAF = 5.394)

log Kow used: 1.70 (estimated)

Volatilization from Water:

Henry LC: 9.25E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.821 hours

Half-Life from Model Lake : 152.2 hours (6.343 days)

Removal In Wastewater Treatment:

Total removal: 6.52 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.88 percent

Total to Air: 4.55 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.503 1.63 1000

Water 45.9 360 1000

Soil 53.5 720 1000

Sediment 0.0948 3.24e+003 0

Persistence Time: 247 hr

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