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CAS Num: 008002-73-1


CHEM : Oils, orris

MOL FOR: C14 H28 O2

MOL WT : 228.38

------------------------------ 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) = 5.98

Log Kow (Exper. database match) = 6.11

Exper. Ref: SANGSTER (1993)

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

Boiling Pt (deg C): 335.28 (Adapted Stein & Brown method)

Melting Pt (deg C): 99.73 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00026 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0346 (Modified Grain method)

MP (exp database): 53.9 deg C

BP (exp database): 326.2 deg C

VP (exp database): 1.40E-06 mm Hg (1.87E-004 Pa) at 25 deg C

Subcooled liquid VP: 2.7E-006 mm Hg (25 deg C, exp database VP )

: 0.00036 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 0.4668

log Kow used: 6.11 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1.07 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.0548 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 1.64E-005 atm-m3/mole (1.66E+000 Pa-m3/mole)

Group Method: 1.86E-005 atm-m3/mole (1.88E+000 Pa-m3/mole)

Exper Database: 4.95E-07 atm-m3/mole (5.02E-002 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: 1.674E-004 atm-m3/mole (1.696E+001 Pa-m3/mole)

VP: 0.00026 mm Hg (source: MPBPVP)

WS: 0.467 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.11 (exp database)

Log Kaw used: -4.694 (exp database)

Log Koa (KOAWIN v1.10 estimate): 10.804

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8199

Biowin2 (Non-Linear Model) : 0.9049

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3574 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1729 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8073

Biowin6 (MITI Non-Linear Model): 0.9038

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9374

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): 0.00036 Pa (2.7E-006 mm Hg)

Log Koa (Koawin est ): 10.804

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

Mackay model : 0.00833

Octanol/air (Koa) model: 0.0156

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.231

Mackay model : 0.4

Octanol/air (Koa) model: 0.556

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.8282 E-12 cm3/molecule-sec

Half-Life = 0.636 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.627 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.316 (Junge-Pankow, Mackay avg)

0.556 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1060 L/kg (MCI method)

Log Koc: 3.025 (MCI method)

Koc : 3430 L/kg (Kow method)

Log Koc: 3.535 (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 = 1.750 (BCF = 56.23 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7049 days (HL = 5.069 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.197 (BCF = 1573)

Log BAF Arnot-Gobas method (upper trophic) = 3.588 (BAF = 3874)

log Kow used: 6.11 (expkow database)

Volatilization from Water:

Henry LC: 4.95E-007 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1789 hours (74.54 days)

Half-Life from Model Lake : 1.964E+004 hours (818.5 days)

Removal In Wastewater Treatment:

Total removal: 92.57 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.80 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.81 15.3 1000

Water 26.1 208 1000

Soil 71.4 416 1000

Sediment 0.63 1.87e+003 0

Persistence Time: 300 hr

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