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CAS Number: 6765-39-5


CHEM : 1-Heptadecene

MOL FOR: C17 H34

MOL WT : 238.46

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 8.55

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

Boiling Pt (deg C): 291.53 (Adapted Stein & Brown method)

Melting Pt (deg C): 14.79 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00358 (Modified Grain method)

VP (Pa, 25 deg C) : 0.477 (Modified Grain method)

MP (exp database): 11.5 deg C

BP (exp database): 300 deg C

VP (exp database): 4.54E-04 mm Hg (6.05E-002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.0003941

log Kow used: 8.55 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00012336 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 8.09E+000 atm-m3/mole (8.20E+005 Pa-m3/mole)

Group Method: 2.39E+001 atm-m3/mole (2.42E+006 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: 2.850E+000 atm-m3/mole (2.888E+005 Pa-m3/mole)

VP: 0.00358 mm Hg (source: MPBPVP)

WS: 0.000394 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.55 (KowWin est)

Log Kaw used: 2.519 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.031

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7425

Biowin2 (Non-Linear Model) : 0.8125

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9705 (weeks )

Biowin4 (Primary Survey Model) : 3.7728 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7135

Biowin6 (MITI Non-Linear Model): 0.8531

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5821

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.3026

BioHC Half-Life (days) : 20.0716

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.0605 Pa (0.000454 mm Hg)

Log Koa (Koawin est ): 6.031

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

Mackay model : 4.96E-005

Octanol/air (Koa) model: 2.64E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00179

Mackay model : 0.00395

Octanol/air (Koa) model: 2.11E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 45.7215 E-12 cm3/molecule-sec

Half-Life = 0.234 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.807 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.00287 (Junge-Pankow, Mackay avg)

2.11E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.686E+004 L/kg (MCI method)

Log Koc: 4.986 (MCI method)

Koc : 2.631E+007 L/kg (Kow method)

Log Koc: 7.420 (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 = 2.766 (BCF = 583.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3947 days (HL = 24.82 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.102 (BCF = 126.5)

Log BAF Arnot-Gobas method (upper trophic) = 4.828 (BAF = 6.737e+004)

log Kow used: 8.55 (estimated)

Volatilization from Water:

Henry LC: 8.09 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.576 hours

Half-Life from Model Lake : 146.7 hours (6.111 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 95.81 percent

Total biodegradation: 0.60 percent

Total sludge adsorption: 83.33 percent

Total to Air: 11.88 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.67 4.51 1000

Water 71.5 360 1000

Soil 15 720 1000

Sediment 10.9 3.24e+003 0

Persistence Time: 151 hr

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