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CAS Num: 027113-22-0



MOL FOR: C17 H26 O3

MOL WT : 278.39

------------------------------ 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) = 4.26

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

Boiling Pt (deg C): 383.69 (Adapted Stein & Brown method)

Melting Pt (deg C): 140.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.2E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 4.27E-005 (Modified Grain method)

Subcooled liquid VP: 4.7E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000627 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.802

log Kow used: 4.26 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 10.969 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.79E-010 atm-m3/mole (1.81E-005 Pa-m3/mole)

Group Method: 9.30E-010 atm-m3/mole (9.42E-005 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: 3.083E-008 atm-m3/mole (3.124E-003 Pa-m3/mole)

VP: 3.2E-007 mm Hg (source: MPBPVP)

WS: 3.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.26 (KowWin est)

Log Kaw used: -8.136 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.396

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0327

Biowin2 (Non-Linear Model) : 0.9849

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7832 (weeks )

Biowin4 (Primary Survey Model) : 3.7412 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5768

Biowin6 (MITI Non-Linear Model): 0.6022

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0001

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): 0.000627 Pa (4.7E-006 mm Hg)

Log Koa (Koawin est ): 12.396

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

Mackay model : 0.00479

Octanol/air (Koa) model: 0.611

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.147

Mackay model : 0.277

Octanol/air (Koa) model: 0.98

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 53.1569 E-12 cm3/molecule-sec

Half-Life = 0.201 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.415 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.212 (Junge-Pankow, Mackay avg)

0.98 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5434 L/kg (MCI method)

Log Koc: 3.735 (MCI method)

Koc : 5010 L/kg (Kow method)

Log Koc: 3.700 (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 = 1.100 (BCF = 12.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7588 days (HL = 0.1743 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.857 (BCF = 71.89)

Log BAF Arnot-Gobas method (upper trophic) = 1.857 (BAF = 71.89)

log Kow used: 4.26 (estimated)

Volatilization from Water:

Henry LC: 9.3E-010 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.05E+006 hours (4.377E+004 days)

Half-Life from Model Lake : 1.146E+007 hours (4.775E+005 days)

Removal In Wastewater Treatment:

Total removal: 43.12 percent

Total biodegradation: 0.42 percent

Total sludge adsorption: 42.69 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 0.0182 4.83 1000

Water 15.8 360 1000

Soil 81.5 720 1000

Sediment 2.63 3.24e+003 0

Persistence Time: 780 hr

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