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CAS Num: 015537-55-0

SMILES : C12(C(C)C)CC1C(O)(C)CC2

CHEM :

MOL FOR: C10 H18 O1

MOL WT : 154.25

------------------------------ 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) = 3.19

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

Boiling Pt (deg C): 192.68 (Adapted Stein & Brown method)

Melting Pt (deg C): 26.70 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0987 (Modified Grain method)

VP (Pa, 25 deg C) : 13.2 (Modified Grain method)

Subcooled liquid VP: 0.102 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 440.5

log Kow used: 3.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 742.39 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.70E-006 atm-m3/mole (6.79E-001 Pa-m3/mole)

Group Method: 1.90E-006 atm-m3/mole (1.92E-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: 4.548E-005 atm-m3/mole (4.608E+000 Pa-m3/mole)

VP: 0.0987 mm Hg (source: MPBPVP)

WS: 441 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.19 (KowWin est)

Log Kaw used: -3.562 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.752

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3062

Biowin2 (Non-Linear Model) : 0.0674

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4340 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3183 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4107

Biowin6 (MITI Non-Linear Model): 0.3564

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5575

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): 13.6 Pa (0.102 mm Hg)

Log Koa (Koawin est ): 6.752

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

Mackay model : 2.21E-007

Octanol/air (Koa) model: 1.39E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.97E-006

Mackay model : 1.76E-005

Octanol/air (Koa) model: 0.000111

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.2469 E-12 cm3/molecule-sec

Half-Life = 1.476 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 17.711 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.28E-005 (Junge-Pankow, Mackay avg)

0.000111 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 76.38 L/kg (MCI method)

Log Koc: 1.883 (MCI method)

Koc : 189.7 L/kg (Kow method)

Log Koc: 2.278 (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 = 1.774 (BCF = 59.45 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0549 days (HL = 0.8813 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.057 (BCF = 114)

Log BAF Arnot-Gobas method (upper trophic) = 2.057 (BAF = 114)

log Kow used: 3.19 (estimated)

Volatilization from Water:

Henry LC: 1.9E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 384 hours (16 days)

Half-Life from Model Lake : 4293 hours (178.9 days)

Removal In Wastewater Treatment:

Total removal: 7.77 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.53 percent

Total to Air: 0.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.25 35.4 1000

Water 25.8 900 1000

Soil 72.8 1.8e+003 1000

Sediment 0.144 8.1e+003 0

Persistence Time: 904 hr

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