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CAS Num: 042604-12-6

SMILES : O(COC(CCCCCCCCCC1)C1)C

CHEM : Cyclododecane, (methoxymethoxy)-

MOL FOR: C14 H28 O2

MOL WT : 228.38

------------------------------ 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) = 5.02

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

Boiling Pt (deg C): 293.76 (Adapted Stein & Brown method)

Melting Pt (deg C): 13.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00491 (Modified Grain method)

VP (Pa, 25 deg C) : 0.654 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.599

log Kow used: 5.02 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 242.94 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: 1.65E-003 atm-m3/mole (1.68E+002 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: 9.227E-004 atm-m3/mole (9.350E+001 Pa-m3/mole)

VP: 0.00491 mm Hg (source: MPBPVP)

WS: 1.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.02 (KowWin est)

Log Kaw used: -1.687 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.707

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0559

Biowin2 (Non-Linear Model) : 0.0008

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6771 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4988 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3149

Biowin6 (MITI Non-Linear Model): 0.2042

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0127

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): 0.655 Pa (0.00491 mm Hg)

Log Koa (Koawin est ): 6.707

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

Mackay model : 4.58E-006

Octanol/air (Koa) model: 1.25E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000165

Mackay model : 0.000366

Octanol/air (Koa) model: 0.0001

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.6952 E-12 cm3/molecule-sec

Half-Life = 0.284 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.405 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000266 (Junge-Pankow, Mackay avg)

0.0001 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 980.6 L/kg (MCI method)

Log Koc: 2.991 (MCI method)

Koc : 3316 L/kg (Kow method)

Log Koc: 3.521 (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 = 2.980 (BCF = 955.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7147 days (HL = 5.185 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.234 (BCF = 1714)

Log BAF Arnot-Gobas method (upper trophic) = 3.286 (BAF = 1934)

log Kow used: 5.02 (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: 79.74 percent

Total biodegradation: 0.65 percent

Total sludge adsorption: 75.65 percent

Total to Air: 3.45 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.626 6.81 1000

Water 12.4 900 1000

Soil 86.3 1.8e+003 1000

Sediment 0.671 8.1e+003 0

Persistence Time: 799 hr

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