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CAS Num: 000627-27-0

SMILES : OCCC=C

CHEM : 3-Buten-1-ol

MOL FOR: C4 H8 O1

MOL WT : 72.11

------------------------------ 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) = 0.70

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

Boiling Pt (deg C): 112.15 (Adapted Stein & Brown method)

Melting Pt (deg C): -63.72 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.89 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.32E+003 (Mean VP of Antoine & Grain methods)

BP (exp database): 113.5 deg C

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

Water Solubility at 25 deg C (mg/L): 1.09e+005

log Kow used: 0.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 61790 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.44E-006 atm-m3/mole (7.54E-001 Pa-m3/mole)

Group Method: 3.08E-006 atm-m3/mole (3.12E-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: 8.609E-006 atm-m3/mole (8.723E-001 Pa-m3/mole)

VP: 9.89 mm Hg (source: MPBPVP)

WS: 1.09E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.70 (KowWin est)

Log Kaw used: -3.517 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.217

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8719

Biowin2 (Non-Linear Model) : 0.9570

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1998 (weeks )

Biowin4 (Primary Survey Model) : 3.8732 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7762

Biowin6 (MITI Non-Linear Model): 0.9163

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8003

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): 1.22E+003 Pa (9.15 mm Hg)

Log Koa (Koawin est ): 4.217

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

Mackay model : 2.46E-009

Octanol/air (Koa) model: 4.05E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.88E-008

Mackay model : 1.97E-007

Octanol/air (Koa) model: 3.24E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 31.6097 E-12 cm3/molecule-sec

Half-Life = 0.338 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.061 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

1.43E-007 (Junge-Pankow, Mackay avg)

3.24E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.471 L/kg (MCI method)

Log Koc: 0.540 (MCI method)

Koc : 7.959 L/kg (Kow method)

Log Koc: 0.901 (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) = -1.2221 days (HL = 0.05997 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.104 (BCF = 1.27)

Log BAF Arnot-Gobas method (upper trophic) = 0.104 (BAF = 1.27)

log Kow used: 0.70 (estimated)

Volatilization from Water:

Henry LC: 7.44E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 67.69 hours (2.82 days)

Half-Life from Model Lake : 809.7 hours (33.74 days)

Removal In Wastewater Treatment:

Total removal: 2.28 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 percent

Total to Air: 0.42 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.04 7.1 1000

Water 44.7 360 1000

Soil 54.1 720 1000

Sediment 0.0884 3.24e+003 0

Persistence Time: 339 hr

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