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CAS Number: 74094-62-5

SMILES : CCCCCCCCCCC1OCC(O1)C

CHEM : 2-decyl-4-methyl-1,3-dioxolane

MOL FOR: C14 H28 O2

MOL WT : 228.38

------------------------------ 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) = 4.95

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

Boiling Pt (deg C): 286.59 (Adapted Stein & Brown method)

Melting Pt (deg C): 43.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00473 (Modified Grain method)

VP (Pa, 25 deg C) : 0.631 (Modified Grain method)

Subcooled liquid VP: 0.00704 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.848

log Kow used: 4.95 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.531 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.03E-004 atm-m3/mole (5.10E+001 Pa-m3/mole)

Group Method: 3.01E-004 atm-m3/mole (3.05E+001 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: 7.691E-004 atm-m3/mole (7.793E+001 Pa-m3/mole)

VP: 0.00473 mm Hg (source: MPBPVP)

WS: 1.85 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.95 (KowWin est)

Log Kaw used: -1.687 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.637

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0525

Biowin2 (Non-Linear Model) : 0.0052

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9755 (weeks )

Biowin4 (Primary Survey Model) : 3.7678 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5258

Biowin6 (MITI Non-Linear Model): 0.4014

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0375

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): 0.939 Pa (0.00704 mm Hg)

Log Koa (Koawin est ): 6.637

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

Mackay model : 3.2E-006

Octanol/air (Koa) model: 1.06E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000115

Mackay model : 0.000256

Octanol/air (Koa) model: 8.51E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 32.1779 E-12 cm3/molecule-sec

Half-Life = 0.332 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.989 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000186 (Junge-Pankow, Mackay avg)

8.51E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 863.3 L/kg (MCI method)

Log Koc: 2.936 (MCI method)

Koc : 3033 L/kg (Kow method)

Log Koc: 3.482 (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 = 1.557 (BCF = 36.08 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2150 days (HL = 1.64 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.799 (BCF = 629.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.804 (BAF = 637)

log Kow used: 4.95 (estimated)

Volatilization from Water:

Henry LC: 0.000503 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.301 hours

Half-Life from Model Lake : 162.7 hours (6.78 days)

Removal In Wastewater Treatment:

Total removal: 77.78 percent

Total biodegradation: 0.63 percent

Total sludge adsorption: 73.23 percent

Total to Air: 3.92 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.28 7.98 1000

Water 18.8 360 1000

Soil 79.4 720 1000

Sediment 0.582 3.24e+003 0

Persistence Time: 391 hr

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