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CAS Number: 1564-98-3

SMILES : O(C1CCC(CCO)C)C1(C)C

CHEM : Oxiranepentanol, .gamma.,3,3-trimethyl-

MOL FOR: C10 H20 O2

MOL WT : 172.27

------------------------------ 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) = 2.16

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

Boiling Pt (deg C): 238.98 (Adapted Stein & Brown method)

Melting Pt (deg C): 32.58 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00534 (Modified Grain method)

VP (Pa, 25 deg C) : 0.713 (Modified Grain method)

Subcooled liquid VP: 0.00625 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 2773

log Kow used: 2.16 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4120.8 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Epoxides, mono

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

Bond Method : 4.24E-008 atm-m3/mole (4.30E-003 Pa-m3/mole)

Group Method: 2.03E-008 atm-m3/mole (2.06E-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: 4.365E-007 atm-m3/mole (4.423E-002 Pa-m3/mole)

VP: 0.00534 mm Hg (source: MPBPVP)

WS: 2.77E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.16 (KowWin est)

Log Kaw used: -5.761 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.921

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2930

Biowin2 (Non-Linear Model) : 0.0301

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7577 (weeks )

Biowin4 (Primary Survey Model) : 3.5655 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5905

Biowin6 (MITI Non-Linear Model): 0.5976

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1162

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): 0.833 Pa (0.00625 mm Hg)

Log Koa (Koawin est ): 7.921

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

Mackay model : 3.6E-006

Octanol/air (Koa) model: 2.05E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00013

Mackay model : 0.000288

Octanol/air (Koa) model: 0.00163

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.4732 E-12 cm3/molecule-sec

Half-Life = 0.794 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.526 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000209 (Junge-Pankow, Mackay avg)

0.00163 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 20.35 L/kg (MCI method)

Log Koc: 1.309 (MCI method)

Koc : 41.48 L/kg (Kow method)

Log Koc: 1.618 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Ka (acid-catalyzed) at 25 deg C : 1.197E+000 L/mol-sec

Ka Half-Life at pH 7: 67.037 days

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.092 (BCF = 12.37 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0446 days (HL = 0.09024 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.005 (BCF = 10.12)

Log BAF Arnot-Gobas method (upper trophic) = 1.005 (BAF = 10.12)

log Kow used: 2.16 (estimated)

Volatilization from Water:

Henry LC: 4.24E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.813E+004 hours (755.2 days)

Half-Life from Model Lake : 1.978E+005 hours (8243 days)

Removal In Wastewater Treatment:

Total removal: 2.42 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.32 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.581 19.1 1000

Water 29.4 360 1000

Soil 70 720 1000

Sediment 0.0788 3.24e+003 0

Persistence Time: 555 hr

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