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CAS Num: 000512-61-8


CHEM : Tricyclo[,6]heptane, 1,7-dimethyl-7-(4-methyl-3-pentenyl)- (V


MOL FOR: C15 H24

MOL WT : 204.36

------------------------------ 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) = 6.43

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

Boiling Pt (deg C): 238.30 (Adapted Stein & Brown method)

Melting Pt (deg C): 39.25 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0567 (Modified Grain method)

VP (Pa, 25 deg C) : 7.56 (Modified Grain method)

Subcooled liquid VP: 0.0763 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.03917

log Kow used: 6.43 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.016478 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.46E-001 atm-m3/mole (3.51E+004 Pa-m3/mole)

Group Method: 3.30E-002 atm-m3/mole (3.34E+003 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: 3.892E-001 atm-m3/mole (3.944E+004 Pa-m3/mole)

VP: 0.0567 mm Hg (source: MPBPVP)

WS: 0.0392 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.43 (KowWin est)

Log Kaw used: 1.151 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.279

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2824

Biowin2 (Non-Linear Model) : 0.0342

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3233 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2460 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4229

Biowin6 (MITI Non-Linear Model): 0.1786

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2939

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 3.1035

BioHC Half-Life (days) : 1269.2034

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 10.2 Pa (0.0763 mm Hg)

Log Koa (Koawin est ): 5.279

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

Mackay model : 2.95E-007

Octanol/air (Koa) model: 4.67E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.07E-005

Mackay model : 2.36E-005

Octanol/air (Koa) model: 3.73E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 93.1060 E-12 cm3/molecule-sec

Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.379 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1.71E-005 (Junge-Pankow, Mackay avg)

3.73E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.771E+004 L/kg (MCI method)

Log Koc: 4.248 (MCI method)

Koc : 3.804E+005 L/kg (Kow method)

Log Koc: 5.580 (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 = 3.908 (BCF = 8084 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3230 days (HL = 21.04 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.645 (BCF = 4418)

Log BAF Arnot-Gobas method (upper trophic) = 5.134 (BAF = 1.362e+005)

log Kow used: 6.43 (estimated)

Volatilization from Water:

Henry LC: 0.033 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.484 hours

Half-Life from Model Lake : 136.1 hours (5.669 days)

Removal In Wastewater Treatment:

Total removal: 94.55 percent

Total biodegradation: 0.66 percent

Total sludge adsorption: 86.46 percent

Total to Air: 7.42 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0776 0.519 1000

Water 13.1 900 1000

Soil 74.9 1.8e+003 1000

Sediment 11.9 8.1e+003 0

Persistence Time: 634 hr

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