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CAS Number:

SMILES : CC1=C(C2(CCCC(C2CC1)(C)C)C)CCC(C)CCO

CHEM :

MOL FOR: C20 H36 O1

MOL WT : 292.51

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 7.32

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

Boiling Pt (deg C): 363.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 118.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.62E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 3.49E-005 (Modified Grain method)

Subcooled liquid VP: 2.21E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000294 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.02473

log Kow used: 7.32 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.092691 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.40E-004 atm-m3/mole (1.42E+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: 4.078E-006 atm-m3/mole (4.132E-001 Pa-m3/mole)

VP: 2.62E-007 mm Hg (source: MPBPVP)

WS: 0.0247 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.32 (KowWin est)

Log Kaw used: -2.242 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.562

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3992

Biowin2 (Non-Linear Model) : 0.0301

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2885 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2483 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3984

Biowin6 (MITI Non-Linear Model): 0.2062

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7200

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): 0.000295 Pa (2.21E-006 mm Hg)

Log Koa (Koawin est ): 9.562

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

Mackay model : 0.0102

Octanol/air (Koa) model: 0.000895

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.269

Mackay model : 0.449

Octanol/air (Koa) model: 0.0668

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 132.2870 E-12 cm3/molecule-sec

Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.970 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 48.059372 E-17 cm3/molecule-sec

Half-Life = 0.024 Days (at 7E11 mol/cm3)

Half-Life = 34.337 Min

Fraction sorbed to airborne particulates (phi):

0.359 (Junge-Pankow, Mackay avg)

0.0668 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.486E+004 L/kg (MCI method)

Log Koc: 4.396 (MCI method)

Koc : 3.652E+004 L/kg (Kow method)

Log Koc: 4.563 (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 v3.01):

Log BCF from regression-based method = 3.968 (BCF = 9296 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.5761 days (HL = 37.68 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.335 (BCF = 2162)

Log BAF Arnot-Gobas method (upper trophic) = 5.866 (BAF = 7.339e+005)

log Kow used: 7.32 (estimated)

Volatilization from Water:

Henry LC: 0.00014 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 8.898 hours

Half-Life from Model Lake : 240.5 hours (10.02 days)

Removal In Wastewater Treatment:

Total removal: 93.95 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.16 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0225 0.442 1000

Water 13.1 900 1000

Soil 77.6 1.8e+003 1000

Sediment 9.28 8.1e+003 0

Persistence Time: 1.12e+003 hr

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