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CAS Num: 121251-67-0


CHEM : Spiro[bicyclo[4.1.0]heptane-2,5 -[1,3]dioxane], 2 ,2 ,3,7,7-pentameth

yl-, (1a,3a,6a)-

MOL FOR: C15 H26 O2

MOL WT : 238.37

------------------------------ 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) = 5.51

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

Boiling Pt (deg C): 275.03 (Adapted Stein & Brown method)

Melting Pt (deg C): 70.45 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00468 (Modified Grain method)

VP (Pa, 25 deg C) : 0.624 (Modified Grain method)

Subcooled liquid VP: 0.0125 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.5378

log Kow used: 5.51 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.1108 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.30E-004 atm-m3/mole (1.32E+001 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: 2.729E-003 atm-m3/mole (2.766E+002 Pa-m3/mole)

VP: 0.00468 mm Hg (source: MPBPVP)

WS: 0.538 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.51 (KowWin est)

Log Kaw used: -2.275 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.785

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.6124

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0187 (months )

Biowin4 (Primary Survey Model) : 3.0240 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3271

Biowin6 (MITI Non-Linear Model): 0.0619

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.4407

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): 1.67 Pa (0.0125 mm Hg)

Log Koa (Koawin est ): 7.785

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

Mackay model : 1.8E-006

Octanol/air (Koa) model: 1.5E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.5E-005

Mackay model : 0.000144

Octanol/air (Koa) model: 0.0012

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.3750 E-12 cm3/molecule-sec

Half-Life = 0.500 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.005 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000104 (Junge-Pankow, Mackay avg)

0.0012 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 833.1 L/kg (MCI method)

Log Koc: 2.921 (MCI method)

Koc : 6189 L/kg (Kow method)

Log Koc: 3.792 (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 = 3.304 (BCF = 2013 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.9000 days (HL = 7.943 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.422 (BCF = 2644)

Log BAF Arnot-Gobas method (upper trophic) = 3.686 (BAF = 4853)

log Kow used: 5.51 (estimated)

Volatilization from Water:

Henry LC: 0.00013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 8.529 hours

Half-Life from Model Lake : 222.5 hours (9.271 days)

Removal In Wastewater Treatment:

Total removal: 88.50 percent

Total biodegradation: 0.74 percent

Total sludge adsorption: 87.37 percent

Total to Air: 0.39 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.539 12 1000

Water 11.1 1.44e+003 1000

Soil 87.8 2.88e+003 1000

Sediment 0.58 1.3e+004 0

Persistence Time: 1.35e+003 hr

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