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CAS Number: 94089-23-3

SMILES : CC1COC(O1)(C)C(C)O

CHEM : 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol

MOL FOR: C7 H14 O3

MOL WT : 146.19

------------------------------ 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) = 1.59

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

Boiling Pt (deg C): 203.63 (Adapted Stein & Brown method)

Melting Pt (deg C): 15.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0592 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 7.89 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.121e+004

log Kow used: 1.59 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.6041e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.53E-009 atm-m3/mole (2.57E-004 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: 1.016E-006 atm-m3/mole (1.029E-001 Pa-m3/mole)

VP: 0.0592 mm Hg (source: MPBPVP)

WS: 1.12E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.59 (KowWin est)

Log Kaw used: -6.985 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.575

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0420

Biowin2 (Non-Linear Model) : 0.0015

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8066 (weeks )

Biowin4 (Primary Survey Model) : 3.5934 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4917

Biowin6 (MITI Non-Linear Model): 0.3917

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3650

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): 7.11 Pa (0.0533 mm Hg)

Log Koa (Koawin est ): 8.575

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

Mackay model : 4.22E-007

Octanol/air (Koa) model: 9.23E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.52E-005

Mackay model : 3.38E-005

Octanol/air (Koa) model: 0.00733

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 38.5163 E-12 cm3/molecule-sec

Half-Life = 0.278 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.332 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.45E-005 (Junge-Pankow, Mackay avg)

0.00733 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 16.29 L/kg (Kow method)

Log Koc: 1.212 (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 = 0.715 (BCF = 5.192 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1771 days (HL = 0.06651 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.559 (BCF = 3.621)

Log BAF Arnot-Gobas method (upper trophic) = 0.559 (BAF = 3.621)

log Kow used: 1.59 (estimated)

Volatilization from Water:

Henry LC: 2.53E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.798E+005 hours (1.166E+004 days)

Half-Life from Model Lake : 3.053E+006 hours (1.272E+005 days)

Removal In Wastewater Treatment:

Total removal: 2.00 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.91 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 0.0504 6.66 1000

Water 31.1 360 1000

Soil 68.8 720 1000

Sediment 0.0701 3.24e+003 0

Persistence Time: 614 hr

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