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CAS Number: 32669-00-4

SMILES : CC(=O)C1CCCCC=CC1

CHEM :

MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 2.80

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

Boiling Pt (deg C): 219.49 (Adapted Stein & Brown method)

Melting Pt (deg C): -2.59 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.202 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 27 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 300.3

log Kow used: 2.80 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1799.9 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.40E-004 atm-m3/mole (1.41E+001 Pa-m3/mole)

Group Method: 2.08E-005 atm-m3/mole (2.11E+000 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: 1.347E-004 atm-m3/mole (1.365E+001 Pa-m3/mole)

VP: 0.202 mm Hg (source: MPBPVP)

WS: 300 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.80 (KowWin est)

Log Kaw used: -2.242 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.042

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6819

Biowin2 (Non-Linear Model) : 0.5972

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8403 (weeks )

Biowin4 (Primary Survey Model) : 3.6059 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5008

Biowin6 (MITI Non-Linear Model): 0.5234

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3430

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 25.2 Pa (0.189 mm Hg)

Log Koa (Koawin est ): 5.042

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

Mackay model : 1.19E-007

Octanol/air (Koa) model: 2.7E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.3E-006

Mackay model : 9.52E-006

Octanol/air (Koa) model: 2.16E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 70.8012 E-12 cm3/molecule-sec

Half-Life = 0.151 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.813 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec

Half-Life = 0.057 Days (at 7E11 mol/cm3)

Half-Life = 1.375 Hrs

Fraction sorbed to airborne particulates (phi):

6.91E-006 (Junge-Pankow, Mackay avg)

2.16E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 172.2 L/kg (MCI method)

Log Koc: 2.236 (MCI method)

Koc : 467.2 L/kg (Kow method)

Log Koc: 2.669 (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 = 1.516 (BCF = 32.78 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3098 days (HL = 0.4901 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.700 (BCF = 50.13)

Log BAF Arnot-Gobas method (upper trophic) = 1.700 (BAF = 50.13)

log Kow used: 2.80 (estimated)

Volatilization from Water:

Henry LC: 2.08E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 35.99 hours (1.5 days)

Half-Life from Model Lake : 496.1 hours (20.67 days)

Removal In Wastewater Treatment:

Total removal: 5.39 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.17 percent

Total to Air: 1.11 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.12 0.997 1000

Water 26.1 360 1000

Soil 73.6 720 1000

Sediment 0.222 3.24e+003 0

Persistence Time: 432 hr

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