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CAS Num: 000112-70-9

SMILES : OCCCCCCCCCCCCC

CHEM : 1-Tridecanol

MOL FOR: C13 H28 O1

MOL WT : 200.37

------------------------------ 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) = 5.26

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

Boiling Pt (deg C): 288.77 (Adapted Stein & Brown method)

Melting Pt (deg C): 31.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000237 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0316 (Modified Grain method)

MP (exp database): 32.5 deg C

BP (exp database): 152 @ 14 mm Hg deg C

VP (exp database): 4.36E-04 mm Hg (5.81E-002 Pa) at 25 deg C

Subcooled liquid VP: 0.000517 mm Hg (25 deg C, exp database VP )

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

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

Water Solubility at 25 deg C (mg/L): 4.533

log Kow used: 5.26 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.4366 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.28E-004 atm-m3/mole (1.30E+001 Pa-m3/mole)

Group Method: 2.18E-004 atm-m3/mole (2.21E+001 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: 1.378E-005 atm-m3/mole (1.397E+000 Pa-m3/mole)

VP: 0.000237 mm Hg (source: MPBPVP)

WS: 4.53 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.26 (KowWin est)

Log Kaw used: -2.281 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.541

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9193

Biowin2 (Non-Linear Model) : 0.9579

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2147 (weeks )

Biowin4 (Primary Survey Model) : 3.9572 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8706

Biowin6 (MITI Non-Linear Model): 0.9488

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8834

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): 0.0689 Pa (0.000517 mm Hg)

Log Koa (Koawin est ): 7.541

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

Mackay model : 4.35E-005

Octanol/air (Koa) model: 8.53E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00157

Mackay model : 0.00347

Octanol/air (Koa) model: 0.000682

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.6075 E-12 cm3/molecule-sec

Half-Life = 0.546 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.546 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00252 (Junge-Pankow, Mackay avg)

0.000682 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 769.6 L/kg (MCI method)

Log Koc: 2.886 (MCI method)

Koc : 2649 L/kg (Kow method)

Log Koc: 3.423 (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 = 1.764 (BCF = 58.06 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0739 days (HL = 1.186 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.672 (BCF = 469.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.677 (BAF = 475.8)

log Kow used: 5.26 (estimated)

Volatilization from Water:

Henry LC: 0.000128 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.919 hours

Half-Life from Model Lake : 205.1 hours (8.545 days)

Removal In Wastewater Treatment:

Total removal: 84.60 percent

Total biodegradation: 0.71 percent

Total sludge adsorption: 83.23 percent

Total to Air: 0.66 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.54 13.1 1000

Water 20.9 360 1000

Soil 77 720 1000

Sediment 0.583 3.24e+003 0

Persistence Time: 431 hr

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