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CAS Num: 065113-99-7

SMILES : OC(C(CCC(C(C(=C1)C)(C)C)C1)C)C

CHEM : 3-Cyclopentene-1-butanol, a, ,2,2,3-pentamethyl-

MOL FOR: C14 H26 O1

MOL WT : 210.36

------------------------------ 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) = 5.15

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

Boiling Pt (deg C): 273.81 (Adapted Stein & Brown method)

Melting Pt (deg C): 47.63 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000443 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0591 (Modified Grain method)

Subcooled liquid VP: 0.000714 mm Hg (25 deg C, Mod-Grain method)

: 0.0951 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 5.013

log Kow used: 5.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18.624 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.90E-005 atm-m3/mole (4.97E+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: 2.446E-005 atm-m3/mole (2.478E+000 Pa-m3/mole)

VP: 0.000443 mm Hg (source: MPBPVP)

WS: 5.01 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.15 (KowWin est)

Log Kaw used: -2.698 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.848

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6222

Biowin2 (Non-Linear Model) : 0.3580

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6821 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5202 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3530

Biowin6 (MITI Non-Linear Model): 0.2224

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1970

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 0.0952 Pa (0.000714 mm Hg)

Log Koa (Koawin est ): 7.848

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

Mackay model : 3.15E-005

Octanol/air (Koa) model: 1.73E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00114

Mackay model : 0.00251

Octanol/air (Koa) model: 0.00138

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 105.0036 E-12 cm3/molecule-sec

Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.222 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):

0.00183 (Junge-Pankow, Mackay avg)

0.00138 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 715.1 L/kg (MCI method)

Log Koc: 2.854 (MCI method)

Koc : 2303 L/kg (Kow method)

Log Koc: 3.362 (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 = 3.064 (BCF = 1160 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2452 days (HL = 1.759 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.833 (BCF = 681.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.843 (BAF = 696.7)

log Kow used: 5.15 (estimated)

Volatilization from Water:

Henry LC: 4.9E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 18.81 hours

Half-Life from Model Lake : 326.8 hours (13.62 days)

Removal In Wastewater Treatment:

Total removal: 82.05 percent

Total biodegradation: 0.70 percent

Total sludge adsorption: 81.00 percent

Total to Air: 0.34 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.088 1.48 1000

Water 16.3 900 1000

Soil 83 1.8e+003 1000

Sediment 0.637 8.1e+003 0

Persistence Time: 971 hr

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