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CAS Num: 064165-57-7


CHEM : 2,4-Dioxaspiro 5.5 undec-8-ene, 3-ethyl-

MOL FOR: C11 H18 O2

MOL WT : 182.26

------------------------------ 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) = 3.11

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

Boiling Pt (deg C): 242.17 (Adapted Stein & Brown method)

Melting Pt (deg C): 32.20 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0545 (Modified Grain method)

VP (Pa, 25 deg C) : 7.27 (Modified Grain method)

Subcooled liquid VP: 0.0632 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 118.7

log Kow used: 3.11 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 924.69 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 8.34E-005 atm-m3/mole (8.45E+000 Pa-m3/mole)

Group Method: 2.34E-006 atm-m3/mole (2.37E-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: 1.101E-004 atm-m3/mole (1.116E+001 Pa-m3/mole)

VP: 0.0545 mm Hg (source: MPBPVP)

WS: 119 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.11 (KowWin est)

Log Kaw used: -2.467 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.577

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.2179

Biowin2 (Non-Linear Model) : 0.0003

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5669 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4119 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4137

Biowin6 (MITI Non-Linear Model): 0.2705

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7739

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): 8.43 Pa (0.0632 mm Hg)

Log Koa (Koawin est ): 5.577

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

Mackay model : 3.56E-007

Octanol/air (Koa) model: 9.27E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.29E-005

Mackay model : 2.85E-005

Octanol/air (Koa) model: 7.41E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 84.1759 E-12 cm3/molecule-sec

Half-Life = 0.127 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.525 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec

Half-Life = 0.057 Days (at 7E11 mol/cm3)

Half-Life = 1.375 Hrs

Fraction sorbed to airborne particulates (phi):

2.07E-005 (Junge-Pankow, Mackay avg)

7.41E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 146.2 L/kg (MCI method)

Log Koc: 2.165 (MCI method)

Koc : 291.2 L/kg (Kow method)

Log Koc: 2.464 (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 = 1.719 (BCF = 52.32 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2148 days (HL = 1.64 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.057 (BCF = 114.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.057 (BAF = 114.1)

log Kow used: 3.11 (estimated)

Volatilization from Water:

Henry LC: 8.34E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 10.86 hours

Half-Life from Model Lake : 231.6 hours (9.651 days)

Removal In Wastewater Treatment:

Total removal: 10.53 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 6.46 percent

Total to Air: 3.94 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0876 0.948 1000

Water 20.4 900 1000

Soil 79.3 1.8e+003 1000

Sediment 0.184 8.1e+003 0

Persistence Time: 760 hr

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