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CAS Number:



MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ 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) = 3.39

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

Boiling Pt (deg C): 181.14 (Adapted Stein & Brown method)

Melting Pt (deg C): 18.95 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.25 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 167 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 94.44

log Kow used: 3.39 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 734.7 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Epoxides, mono

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

Bond Method : 5.31E-004 atm-m3/mole (5.38E+001 Pa-m3/mole)

Group Method: 3.01E-005 atm-m3/mole (3.05E+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: 2.651E-003 atm-m3/mole (2.686E+002 Pa-m3/mole)

VP: 1.25 mm Hg (source: MPBPVP)

WS: 94.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.39 (KowWin est)

Log Kaw used: -1.663 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.053

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0402

Biowin2 (Non-Linear Model) : 0.0024

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4298 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3115 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4625

Biowin6 (MITI Non-Linear Model): 0.4056

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7619

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): 153 Pa (1.15 mm Hg)

Log Koa (Koawin est ): 5.053

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

Mackay model : 1.96E-008

Octanol/air (Koa) model: 2.77E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.07E-007

Mackay model : 1.57E-006

Octanol/air (Koa) model: 2.22E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 96.4267 E-12 cm3/molecule-sec

Half-Life = 0.111 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.331 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):

1.14E-006 (Junge-Pankow, Mackay avg)

2.22E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 231.7 L/kg (MCI method)

Log Koc: 2.365 (MCI method)

Koc : 512.4 L/kg (Kow method)

Log Koc: 2.710 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Ka (acid-catalyzed) at 25 deg C : 1.608E+000 L/mol-sec

Ka Half-Life at pH 7: 49.901 days

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.904 (BCF = 80.12 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2649 days (HL = 1.84 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.289 (BCF = 194.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.289 (BAF = 194.7)

log Kow used: 3.39 (estimated)

Volatilization from Water:

Henry LC: 0.000531 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.62 hours

Half-Life from Model Lake : 132 hours (5.501 days)

Removal In Wastewater Treatment:

Total removal: 26.91 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 9.64 percent

Total to Air: 17.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0947 0.516 1000

Water 19.5 900 1000

Soil 80.1 1.8e+003 1000

Sediment 0.261 8.1e+003 0

Persistence Time: 517 hr

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