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CAS Number: 4536-30-5

SMILES : O(CCCCCCCCCCCC)CCO

CHEM : Ethanol, 2-(dodecyloxy)-

MOL FOR: C14 H30 O2

MOL WT : 230.39

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 4.50

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

Boiling Pt (deg C): 318.21 (Adapted Stein & Brown method)

Melting Pt (deg C): 64.79 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.77E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00236 (Modified Grain method)

Subcooled liquid VP: 4.17E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00556 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 14.19

log Kow used: 4.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 15.311 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.45E-007 atm-m3/mole (9.57E-002 Pa-m3/mole)

Group Method: 3.30E-007 atm-m3/mole (3.34E-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: 3.781E-007 atm-m3/mole (3.831E-002 Pa-m3/mole)

VP: 1.77E-005 mm Hg (source: MPBPVP)

WS: 14.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.50 (KowWin est)

Log Kaw used: -4.413 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.913

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5577

Biowin2 (Non-Linear Model) : 0.3250

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1397 (weeks )

Biowin4 (Primary Survey Model) : 3.9041 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8321

Biowin6 (MITI Non-Linear Model): 0.9148

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6522

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): 0.00556 Pa (4.17E-005 mm Hg)

Log Koa (Koawin est ): 8.913

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

Mackay model : 0.00054

Octanol/air (Koa) model: 0.000201

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0191

Mackay model : 0.0414

Octanol/air (Koa) model: 0.0158

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 34.8178 E-12 cm3/molecule-sec

Half-Life = 0.307 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.686 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0302 (Junge-Pankow, Mackay avg)

0.0158 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 343.5 L/kg (MCI method)

Log Koc: 2.536 (MCI method)

Koc : 816.9 L/kg (Kow method)

Log Koc: 2.912 (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 v3.01):

Log BCF from regression-based method = 1.259 (BCF = 18.15 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2374 days (HL = 0.5789 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.358 (BCF = 227.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.358 (BAF = 227.9)

log Kow used: 4.50 (estimated)

Volatilization from Water:

Henry LC: 3.3E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2695 hours (112.3 days)

Half-Life from Model Lake : 2.952E+004 hours (1230 days)

Removal In Wastewater Treatment:

Total removal: 56.03 percent

Total biodegradation: 0.52 percent

Total sludge adsorption: 55.50 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.619 7.37 1000

Water 24.7 360 1000

Soil 74.3 720 1000

Sediment 0.357 3.24e+003 0

Persistence Time: 480 hr

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