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CAS Number: 7299-40-3

SMILES : CC1(O)CCC(CC1)C(=C)C

CHEM :

MOL FOR: C10 H18 O1

MOL WT : 154.25

------------------------------ 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) = 3.41

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

Boiling Pt (deg C): 210.29 (Adapted Stein & Brown method)

Melting Pt (deg C): 5.28 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0312 (Modified Grain method)

VP (Pa, 25 deg C) : 4.16 (Modified Grain method)

MP (exp database): 32.5 deg C

BP (exp database): 210 deg C

Subcooled liquid VP: 0.0364 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 287.6

log Kow used: 3.41 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 2200 mg/L (15 deg C)

Exper. Ref: STEPHEN,H & STEPHEN,T (1963)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1328.8 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.34E-005 atm-m3/mole (1.36E+000 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: 2.202E-005 atm-m3/mole (2.231E+000 Pa-m3/mole)

VP: 0.0312 mm Hg (source: MPBPVP)

WS: 288 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.41 (KowWin est)

Log Kaw used: -3.261 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.671

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4902

Biowin2 (Non-Linear Model) : 0.2880

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4717 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4254

Biowin6 (MITI Non-Linear Model): 0.3507

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2449

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): 4.85 Pa (0.0364 mm Hg)

Log Koa (Koawin est ): 6.671

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

Mackay model : 6.18E-007

Octanol/air (Koa) model: 1.15E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.23E-005

Mackay model : 4.94E-005

Octanol/air (Koa) model: 9.21E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 66.6850 E-12 cm3/molecule-sec

Half-Life = 0.160 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.925 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

3.59E-005 (Junge-Pankow, Mackay avg)

9.21E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 78.42 L/kg (MCI method)

Log Koc: 1.894 (MCI method)

Koc : 251.1 L/kg (Kow method)

Log Koc: 2.400 (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 = 1.917 (BCF = 82.64 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0974 days (HL = 0.7991 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.176 (BCF = 150)

Log BAF Arnot-Gobas method (upper trophic) = 2.176 (BAF = 150)

log Kow used: 3.41 (estimated)

Volatilization from Water:

Henry LC: 1.34E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 55.53 hours (2.314 days)

Half-Life from Model Lake : 709.9 hours (29.58 days)

Removal In Wastewater Treatment:

Total removal: 11.77 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 10.93 percent

Total to Air: 0.67 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.214 3.3 1000

Water 25.8 900 1000

Soil 73.9 1.8e+003 1000

Sediment 0.146 8.1e+003 0

Persistence Time: 825 hr

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