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CAS Num: 000078-89-7

SMILES : OCC(CL)C

CHEM : 1-Propanol, 2-chloro-

MOL FOR: C3 H7 CL1 O1

MOL WT : 94.54

------------------------------ 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) = 0.53

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

Boiling Pt (deg C): 126.23 (Adapted Stein & Brown method)

Melting Pt (deg C): -56.90 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.37 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 449 (Mean VP of Antoine & Grain methods)

MP (exp database): < 25 deg C

BP (exp database): 133.5 deg C

VP (exp database): 5.25E+00 mm Hg (7.00E+002 Pa) at 20 deg C

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

Water Solubility at 25 deg C (mg/L): 1.382e+005

log Kow used: 0.53 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.4193e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Halo Alcohols

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

Bond Method : 1.67E-006 atm-m3/mole (1.69E-001 Pa-m3/mole)

Group Method: 1.69E-007 atm-m3/mole (1.71E-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: 3.033E-006 atm-m3/mole (3.074E-001 Pa-m3/mole)

VP: 3.37 mm Hg (source: MPBPVP)

WS: 1.38E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.53 (KowWin est)

Log Kaw used: -4.166 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.696

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7499

Biowin2 (Non-Linear Model) : 0.7173

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9770 (weeks )

Biowin4 (Primary Survey Model) : 3.7402 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5923

Biowin6 (MITI Non-Linear Model): 0.6249

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7348

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): 700 Pa (5.25 mm Hg)

Log Koa (Koawin est ): 4.696

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

Mackay model : 4.29E-009

Octanol/air (Koa) model: 1.22E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.55E-007

Mackay model : 3.43E-007

Octanol/air (Koa) model: 9.75E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.2726 E-12 cm3/molecule-sec

Half-Life = 4.707 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 56.479 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.49E-007 (Junge-Pankow, Mackay avg)

9.75E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.919 L/kg (MCI method)

Log Koc: 0.465 (MCI method)

Koc : 6.409 L/kg (Kow method)

Log Koc: 0.807 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2392 days (HL = 0.05765 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.058 (BCF = 1.143)

Log BAF Arnot-Gobas method (upper trophic) = 0.058 (BAF = 1.143)

log Kow used: 0.53 (estimated)

Volatilization from Water:

Henry LC: 1.69E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3369 hours (140.4 days)

Half-Life from Model Lake : 3.684E+004 hours (1535 days)

Removal In Wastewater Treatment:

Total removal: 1.87 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 2.36 113 1000

Water 38.8 360 1000

Soil 58.7 720 1000

Sediment 0.0758 3.24e+003 0

Persistence Time: 480 hr

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