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CAS Number: 78631-45-5

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

CHEM : 2-methylhept-6-en-3-ol

MOL FOR: C8 H16 O1

MOL WT : 128.22

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 2.52

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

Boiling Pt (deg C): 167.62 (Adapted Stein & Brown method)

Melting Pt (deg C): -39.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.497 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 66.2 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 2122

log Kow used: 2.52 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2194.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.31E-005 atm-m3/mole (2.34E+000 Pa-m3/mole)

Group Method: 2.45E-005 atm-m3/mole (2.48E+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: 3.951E-005 atm-m3/mole (4.004E+000 Pa-m3/mole)

VP: 0.497 mm Hg (source: MPBPVP)

WS: 2.12E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.52 (KowWin est)

Log Kaw used: -3.025 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.545

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8452

Biowin2 (Non-Linear Model) : 0.9094

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0758 (weeks )

Biowin4 (Primary Survey Model) : 3.7922 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5087

Biowin6 (MITI Non-Linear Model): 0.6484

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3094

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): 58.9 Pa (0.442 mm Hg)

Log Koa (Koawin est ): 5.545

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

Mackay model : 5.09E-008

Octanol/air (Koa) model: 8.61E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.84E-006

Mackay model : 4.07E-006

Octanol/air (Koa) model: 6.89E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 41.9952 E-12 cm3/molecule-sec

Half-Life = 0.255 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.056 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):

2.96E-006 (Junge-Pankow, Mackay avg)

6.89E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 28.93 L/kg (MCI method)

Log Koc: 1.461 (MCI method)

Koc : 80.82 L/kg (Kow method)

Log Koc: 1.908 (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 v3.00):

Log BCF from regression-based method = 1.331 (BCF = 21.43 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6996 days (HL = 0.1997 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.379 (BCF = 23.96)

Log BAF Arnot-Gobas method (upper trophic) = 1.379 (BAF = 23.96)

log Kow used: 2.52 (estimated)

Volatilization from Water:

Henry LC: 2.31E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 29.86 hours (1.244 days)

Half-Life from Model Lake : 420.6 hours (17.53 days)

Removal In Wastewater Treatment:

Total removal: 4.37 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.02 percent

Total to Air: 1.24 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.685 4.83 1000

Water 33.7 360 1000

Soil 65.5 720 1000

Sediment 0.102 3.24e+003 0

Persistence Time: 375 hr

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