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CAS Number: 106-22-9

SMILES : OCCC(CCC=C(C)C)C

CHEM : 6-Octen-1-ol, 3,7-dimethyl-

MOL FOR: C10 H20 O1

MOL WT : 156.27

------------------------------ 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) = 3.56

Log Kow (Exper. database match) = 3.91

Exper. Ref: GRIFFIN,S ET AL. (1999)

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

Boiling Pt (deg C): 228.21 (Adapted Stein & Brown method)

Melting Pt (deg C): -12.16 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0169 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.26 (Mean VP of Antoine & Grain methods)

MP (exp database): < 25 deg C

BP (exp database): 224 deg C

VP (exp database): 4.41E-02 mm Hg (5.88E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 105.5

log Kow used: 3.91 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 472.85 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.68E-005 atm-m3/mole (5.75E+000 Pa-m3/mole)

Group Method: 2.13E-005 atm-m3/mole (2.16E+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: 3.294E-005 atm-m3/mole (3.337E+000 Pa-m3/mole)

VP: 0.0169 mm Hg (source: MPBPVP)

WS: 106 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.91 (exp database)

Log Kaw used: -2.634 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.544

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8319

Biowin2 (Non-Linear Model) : 0.8707

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0138 (weeks )

Biowin4 (Primary Survey Model) : 3.7517 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5628

Biowin6 (MITI Non-Linear Model): 0.6734

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5947

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): 5.88 Pa (0.0441 mm Hg)

Log Koa (Koawin est ): 6.544

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

Mackay model : 5.1E-007

Octanol/air (Koa) model: 8.59E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.84E-005

Mackay model : 4.08E-005

Octanol/air (Koa) model: 6.87E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 98.4101 E-12 cm3/molecule-sec

Half-Life = 0.109 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.304 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):

2.96E-005 (Junge-Pankow, Mackay avg)

6.87E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 94.15 L/kg (MCI method)

Log Koc: 1.974 (MCI method)

Koc : 474.7 L/kg (Kow method)

Log Koc: 2.676 (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 = 2.247 (BCF = 176.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0580 days (HL = 0.8751 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.412 (BCF = 257.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.412 (BAF = 258)

log Kow used: 3.91 (expkow database)

Volatilization from Water:

Henry LC: 5.68E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 14.16 hours

Half-Life from Model Lake : 259.3 hours (10.8 days)

Removal In Wastewater Treatment:

Total removal: 27.99 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 25.54 percent

Total to Air: 2.17 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0778 0.514 1000

Water 27.1 360 1000

Soil 72.7 720 1000

Sediment 0.152 3.24e+003 0

Persistence Time: 392 hr

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