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CAS Number: 29848-44-0

SMILES : CC1C(CCO1)O

CHEM : 2-methyloxolan-3-ol

MOL FOR: C5 H10 O2

MOL WT : 102.13

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = -0.18

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

Boiling Pt (deg C): 159.32 (Adapted Stein & Brown method)

Melting Pt (deg C): -26.82 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.799 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 106 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 5.354e+005

log Kow used: -0.18 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.09E-009 atm-m3/mole (4.15E-004 Pa-m3/mole)

Group Method: 4.66E-009 atm-m3/mole (4.72E-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: 2.005E-007 atm-m3/mole (2.032E-002 Pa-m3/mole)

VP: 0.799 mm Hg (source: MPBPVP)

WS: 5.35E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.18 (KowWin est)

Log Kaw used: -6.777 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.597

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5103

Biowin2 (Non-Linear Model) : 0.3201

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1248 (weeks )

Biowin4 (Primary Survey Model) : 3.8201 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6357

Biowin6 (MITI Non-Linear Model): 0.6699

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4709

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): 95.1 Pa (0.713 mm Hg)

Log Koa (Koawin est ): 6.597

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

Mackay model : 3.16E-008

Octanol/air (Koa) model: 9.71E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.14E-006

Mackay model : 2.52E-006

Octanol/air (Koa) model: 7.76E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.2558 E-12 cm3/molecule-sec

Half-Life = 0.460 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.519 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.83E-006 (Junge-Pankow, Mackay avg)

7.76E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.358 L/kg (MCI method)

Log Koc: 0.133 (MCI method)

Koc : 2.106 L/kg (Kow method)

Log Koc: 0.323 (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) = -1.4775 days (HL = 0.03331 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.030 (BCF = 0.9329)

Log BAF Arnot-Gobas method (upper trophic) = -0.030 (BAF = 0.9329)

log Kow used: -0.18 (estimated)

Volatilization from Water:

Henry LC: 4.09E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.447E+005 hours (6028 days)

Half-Life from Model Lake : 1.578E+006 hours (6.576E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.0885 11 1000

Water 37.9 360 1000

Soil 61.9 720 1000

Sediment 0.0715 3.24e+003 0

Persistence Time: 565 hr

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