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CAS Num: 004359-57-3

SMILES : O(CCO1)C1CCCCCCC

CHEM : 1,3-Dioxolane, 2-heptyl-

MOL FOR: C10 H20 O2

MOL WT : 172.27

------------------------------ 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) = 3.06

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

Boiling Pt (deg C): 222.90 (Adapted Stein & Brown method)

Melting Pt (deg C): 4.92 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.171 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 22.8 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 147.1

log Kow used: 3.06 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 359.31 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.62E-004 atm-m3/mole (1.64E+001 Pa-m3/mole)

Group Method: 4.55E-005 atm-m3/mole (4.62E+000 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: 2.635E-004 atm-m3/mole (2.670E+001 Pa-m3/mole)

VP: 0.171 mm Hg (source: MPBPVP)

WS: 147 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.06 (KowWin est)

Log Kaw used: -2.179 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.239

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0792

Biowin2 (Non-Linear Model) : 0.0115

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0995 (weeks )

Biowin4 (Primary Survey Model) : 3.8488 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5514

Biowin6 (MITI Non-Linear Model): 0.5691

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1204

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): 21.3 Pa (0.16 mm Hg)

Log Koa (Koawin est ): 5.239

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

Mackay model : 1.41E-007

Octanol/air (Koa) model: 4.26E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.08E-006

Mackay model : 1.12E-005

Octanol/air (Koa) model: 3.4E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.9408 E-12 cm3/molecule-sec

Half-Life = 0.466 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.595 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.16E-006 (Junge-Pankow, Mackay avg)

3.4E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 88.9 L/kg (MCI method)

Log Koc: 1.949 (MCI method)

Koc : 273.2 L/kg (Kow method)

Log Koc: 2.436 (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 = 1.684 (BCF = 48.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4563 days (HL = 0.3497 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.816 (BCF = 65.4)

Log BAF Arnot-Gobas method (upper trophic) = 1.816 (BAF = 65.4)

log Kow used: 3.06 (estimated)

Volatilization from Water:

Henry LC: 0.000162 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.083 hours

Half-Life from Model Lake : 176.4 hours (7.351 days)

Removal In Wastewater Treatment:

Total removal: 13.02 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 5.86 percent

Total to Air: 7.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.99 11.2 1000

Water 26.6 360 1000

Soil 71.2 720 1000

Sediment 0.144 3.24e+003 0

Persistence Time: 345 hr

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