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CAS Number: 115-07-1

SMILES : C(=C)C

CHEM : 1-Propene

MOL FOR: C3 H6

MOL WT : 42.08

------------------------------ 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) = 1.68

Log Kow (Exper. database match) = 1.77

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): -9.84 (Adapted Stein & Brown method)

Melting Pt (deg C): -135.38 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.04E+003 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 9.39E+005 (Mean VP of Antoine & Grain methods)

MP (exp database): -185 deg C

BP (exp database): -48 deg C

VP (exp database): 8.69E+03 mm Hg (1.16E+006 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1162

log Kow used: 1.77 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 200 mg/L (25 deg C)

Exper. Ref: MCAULIFFE,C (1966)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 717.99 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.53E-001 atm-m3/mole (1.55E+004 Pa-m3/mole)

Group Method: 1.58E-001 atm-m3/mole (1.60E+004 Pa-m3/mole)

Exper Database: 1.96E-01 atm-m3/mole (1.99E+004 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: 3.621E-002 atm-m3/mole (3.669E+003 Pa-m3/mole)

VP: 7.04E+003 mm Hg (source: MPBPVP)

WS: 1.16E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.77 (exp database)

Log Kaw used: 0.904 (exp database)

Log Koa (KOAWIN v1.10 estimate): 0.866

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7275

Biowin2 (Non-Linear Model) : 0.9177

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1062 (weeks )

Biowin4 (Primary Survey Model) : 3.7870 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6059

Biowin6 (MITI Non-Linear Model): 0.8047

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5359

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.3730

BioHC Half-Life (days) : 2.3603

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

Vapor pressure (liquid/subcooled): 1.16E+006 Pa (8.69E+003 mm Hg)

Log Koa (Koawin est ): 0.866

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

Mackay model : 2.59E-012

Octanol/air (Koa) model: 1.8E-012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.35E-011

Mackay model : 2.07E-010

Octanol/air (Koa) model: 1.44E-010

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.4360 E-12 cm3/molecule-sec

Half-Life = 0.405 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.855 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):

1.5E-010 (Junge-Pankow, Mackay avg)

1.44E-010 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 21.73 L/kg (MCI method)

Log Koc: 1.337 (MCI method)

Koc : 34.34 L/kg (Kow method)

Log Koc: 1.536 (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 = 0.835 (BCF = 6.837 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5593 days (HL = 0.2758 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.806 (BCF = 6.398)

Log BAF Arnot-Gobas method (upper trophic) = 0.806 (BAF = 6.398)

log Kow used: 1.77 (expkow database)

Volatilization from Water:

Henry LC: 0.196 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 0.6639 hours (39.83 min)

Half-Life from Model Lake : 61.64 hours (2.568 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.70 percent

Total biodegradation: 0.02 percent

Total sludge adsorption: 0.41 percent

Total to Air: 98.27 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 10.7 6.97 1000

Water 87.7 360 1000

Soil 1.44 720 1000

Sediment 0.24 3.24e+003 0

Persistence Time: 70.2 hr

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