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CAS Number: 142-29-0

SMILES : C(=CCC1)C1

CHEM : Cyclopentene

MOL FOR: C5 H8

MOL WT : 68.12

------------------------------ 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) = 2.47

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

Boiling Pt (deg C): 65.86 (Adapted Stein & Brown method)

Melting Pt (deg C): -93.18 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 380 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.07E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -135.1 deg C

BP (exp database): 44.2 deg C

VP (exp database): 3.80E+02 mm Hg (5.07E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 307.2

log Kow used: 2.47 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 535 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 322.36 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.99E-002 atm-m3/mole (5.05E+003 Pa-m3/mole)

Group Method: 3.62E-002 atm-m3/mole (3.67E+003 Pa-m3/mole)

Exper Database: 6.37E-02 atm-m3/mole (6.45E+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: 1.109E-001 atm-m3/mole (1.123E+004 Pa-m3/mole)

VP: 380 mm Hg (source: MPBPVP)

WS: 307 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.47 (KowWin est)

Log Kaw used: 0.416 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.054

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7151

Biowin2 (Non-Linear Model) : 0.8851

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0486 (weeks )

Biowin4 (Primary Survey Model) : 3.7495 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5810

Biowin6 (MITI Non-Linear Model): 0.7901

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3290

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7428

BioHC Half-Life (days) : 5.5309

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

Vapor pressure (liquid/subcooled): 5.07E+004 Pa (380 mm Hg)

Log Koa (Koawin est ): 2.054

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

Mackay model : 5.92E-011

Octanol/air (Koa) model: 2.78E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.14E-009

Mackay model : 4.74E-009

Octanol/air (Koa) model: 2.22E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 58.7748 E-12 cm3/molecule-sec

Half-Life = 0.182 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.184 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec

Half-Life = 0.057 Days (at 7E11 mol/cm3)

Half-Life = 1.375 Hrs

Fraction sorbed to airborne particulates (phi):

3.44E-009 (Junge-Pankow, Mackay avg)

2.22E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 79.99 L/kg (MCI method)

Log Koc: 1.903 (MCI method)

Koc : 139.1 L/kg (Kow method)

Log Koc: 2.143 (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 = 1.296 (BCF = 19.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4663 days (HL = 0.3417 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.404 (BCF = 25.34)

Log BAF Arnot-Gobas method (upper trophic) = 1.404 (BAF = 25.34)

log Kow used: 2.47 (estimated)

Volatilization from Water:

Henry LC: 0.0637 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 0.8498 hours (50.99 min)

Half-Life from Model Lake : 78.48 hours (3.27 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.12 percent

Total biodegradation: 0.02 percent

Total sludge adsorption: 1.01 percent

Total to Air: 95.09 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.39 0.793 1000

Water 92.9 360 1000

Soil 5.25 720 1000

Sediment 0.471 3.24e+003 0

Persistence Time: 66.3 hr

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