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CAS Number: 23734-06-7

SMILES : CC(=C)C1C(C=CCC1=C)O

CHEM :

MOL FOR: C10 H14 O1

MOL WT : 150.22

------------------------------ 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) = 3.15

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

Boiling Pt (deg C): 226.99 (Adapted Stein & Brown method)

Melting Pt (deg C): 5.43 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.014 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.87 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 497.3

log Kow used: 3.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 797.77 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 1.03E-005 atm-m3/mole (1.05E+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: 5.564E-006 atm-m3/mole (5.638E-001 Pa-m3/mole)

VP: 0.014 mm Hg (source: MPBPVP)

WS: 497 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.15 (KowWin est)

Log Kaw used: -3.376 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.526

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8348

Biowin2 (Non-Linear Model) : 0.8801

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0272 (weeks )

Biowin4 (Primary Survey Model) : 3.7605 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5085

Biowin6 (MITI Non-Linear Model): 0.3455

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4070

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): 1.73 Pa (0.013 mm Hg)

Log Koa (Koawin est ): 6.526

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

Mackay model : 1.73E-006

Octanol/air (Koa) model: 8.24E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.25E-005

Mackay model : 0.000138

Octanol/air (Koa) model: 6.59E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 171.1479 E-12 cm3/molecule-sec

Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.750 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 22.400002 E-17 cm3/molecule-sec

Half-Life = 0.051 Days (at 7E11 mol/cm3)

Half-Life = 1.228 Hrs

Fraction sorbed to airborne particulates (phi):

0.0001 (Junge-Pankow, Mackay avg)

6.59E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 89.95 L/kg (MCI method)

Log Koc: 1.954 (MCI method)

Koc : 180.3 L/kg (Kow method)

Log Koc: 2.256 (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 = 1.747 (BCF = 55.87 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0552 days (HL = 0.8806 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.028 (BCF = 106.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.028 (BAF = 106.7)

log Kow used: 3.15 (estimated)

Volatilization from Water:

Henry LC: 1.03E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 70.92 hours (2.955 days)

Half-Life from Model Lake : 876.4 hours (36.52 days)

Removal In Wastewater Treatment:

Total removal: 7.71 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.03 percent

Total to Air: 0.54 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0811 0.675 1000

Water 28.4 360 1000

Soil 71.4 720 1000

Sediment 0.155 3.24e+003 0

Persistence Time: 424 hr

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