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CAS Num: 001454-85-9

SMILES : OCCCCCCCCCCCCCCCCC

CHEM : 1-Heptadecanol

MOL FOR: C17 H36 O1

MOL WT : 256.48

------------------------------ 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) = 7.23

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

Boiling Pt (deg C): 342.98 (Adapted Stein & Brown method)

Melting Pt (deg C): 77.81 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.64E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00115 (Modified Grain method)

MP (exp database): 53.8 deg C

BP (exp database): 333 deg C

Subcooled liquid VP: 1.59E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00212 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.04759

log Kow used: 7.23 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.008 mg/L (25 deg C)

Exper. Ref: YAWS,CL ET AL. (1990A)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.022178 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.97E-004 atm-m3/mole (4.02E+001 Pa-m3/mole)

Group Method: 8.68E-004 atm-m3/mole (8.79E+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: 6.127E-005 atm-m3/mole (6.208E+000 Pa-m3/mole)

VP: 8.64E-006 mm Hg (source: MPBPVP)

WS: 0.0476 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.23 (KowWin est)

Log Kaw used: -1.790 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.020

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8926

Biowin2 (Non-Linear Model) : 0.9112

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0907 (weeks )

Biowin4 (Primary Survey Model) : 3.8762 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9013

Biowin6 (MITI Non-Linear Model): 0.9533

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9874

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): 0.00212 Pa (1.59E-005 mm Hg)

Log Koa (Koawin est ): 9.020

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

Mackay model : 0.00142

Octanol/air (Koa) model: 0.000257

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0486

Mackay model : 0.102

Octanol/air (Koa) model: 0.0201

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 25.2596 E-12 cm3/molecule-sec

Half-Life = 0.423 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.081 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0752 (Junge-Pankow, Mackay avg)

0.0201 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8489 L/kg (MCI method)

Log Koc: 3.929 (MCI method)

Koc : 3.257E+004 L/kg (Kow method)

Log Koc: 4.513 (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 = 3.417 (BCF = 2613 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6305 days (HL = 4.271 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.581 (BCF = 380.7)

Log BAF Arnot-Gobas method (upper trophic) = 3.627 (BAF = 4239)

log Kow used: 7.23 (estimated)

Volatilization from Water:

Henry LC: 0.000397 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.996 hours

Half-Life from Model Lake : 177.9 hours (7.412 days)

Removal In Wastewater Treatment:

Total removal: 93.93 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.13 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.14 10.2 1000

Water 19.5 360 1000

Soil 76.6 720 1000

Sediment 2.71 3.24e+003 0

Persistence Time: 453 hr

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