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CAS Num: 008007-01-0


CHEM : Oils, rose

MOL FOR: C10 H18 O1

MOL WT : 154.25

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

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 3.47

Log Kow (Exper. database match) = 3.56

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

Log Kow (Exper. database match) = 3.47

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

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

Boiling Pt (deg C): 239.89 (Adapted Stein & Brown method)

Melting Pt (deg C): -10.78 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0159 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.12 (Mean VP of Antoine & Grain methods)

MP (exp database): <-15 deg C

BP (exp database): 225 deg C

VP (exp database): 3.00E-02 mm Hg (4.00E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 255.8

log Kow used: 3.47 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 100 mg/L (25 deg C)


Water Sol (Exper. database match) = 531 mg/L (25 deg C)

Exper. Ref: MILLER,DJ & HAWTHORNE,SB (2000A)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1012.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 5.89E-005 atm-m3/mole (5.97E+000 Pa-m3/mole)

Group Method: 1.12E-005 atm-m3/mole (1.13E+000 Pa-m3/mole)

Exper Database: 1.15E-05 atm-m3/mole (1.17E+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: 1.262E-005 atm-m3/mole (1.278E+000 Pa-m3/mole)

VP: 0.0159 mm Hg (source: MPBPVP)

WS: 256 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.47 (exp database)

Log Kaw used: -3.328 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.798

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8328

Biowin2 (Non-Linear Model) : 0.8739

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0183 (weeks )

Biowin4 (Primary Survey Model) : 3.7546 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5762

Biowin6 (MITI Non-Linear Model): 0.6179

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6611

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): 4 Pa (0.03 mm Hg)

Log Koa (Koawin est ): 6.798

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

Mackay model : 7.5E-007

Octanol/air (Koa) model: 1.54E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.71E-005

Mackay model : 6E-005

Octanol/air (Koa) model: 0.000123

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 179.9146 E-12 cm3/molecule-sec

Half-Life = 0.059 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.713 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec

Half-Life = 0.013 Days (at 7E11 mol/cm3)

Half-Life = 19.189 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

4.35E-005 (Junge-Pankow, Mackay avg)

0.000123 (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 : 271 L/kg (Kow method)

Log Koc: 2.433 (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 = 1.957 (BCF = 90.47 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0779 days (HL = 1.196 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.284 (BCF = 192.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.284 (BAF = 192.5)

log Kow used: 3.47 (expkow database)

Volatilization from Water:

Henry LC: 1.15E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 64.5 hours (2.687 days)

Half-Life from Model Lake : 807.8 hours (33.66 days)

Removal In Wastewater Treatment:

Total removal: 12.90 percent

Total biodegradation: 0.18 percent

Total sludge adsorption: 12.15 percent

Total to Air: 0.57 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0317 0.261 1000

Water 28.2 360 1000

Soil 71.6 720 1000

Sediment 0.158 3.24e+003 0

Persistence Time: 424 hr

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