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CAS Number: 78-99-9

SMILES : CCC(CL)CL

CHEM : 1,1-Dichloropropane

MOL FOR: C3 H6 CL2

MOL WT : 112.99

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 2.25

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

Boiling Pt (deg C): 87.94 (Adapted Stein & Brown method)

Melting Pt (deg C): -83.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 62.1 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 8.28E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): < 25 deg C

BP (exp database): 88.1 deg C

VP (exp database): 5.08E+01 mm Hg (6.77E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1275

log Kow used: 2.25 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 2700 mg/L (20 deg C)

Exper. Ref: GUNTHER,FA (1968)

Water Sol (Exper. database match) = 2700 mg/L (20 deg C)

Exper. Ref: GUNTHER,FA (1968)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2193 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.61E-002 atm-m3/mole (1.63E+003 Pa-m3/mole)

Group Method: 6.74E-003 atm-m3/mole (6.83E+002 Pa-m3/mole)

Exper Database: 3.76E-03 atm-m3/mole (3.81E+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: 7.241E-003 atm-m3/mole (7.337E+002 Pa-m3/mole)

VP: 62.1 mm Hg (source: MPBPVP)

WS: 1.28E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.25 (KowWin est)

Log Kaw used: -0.813 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.063

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4710

Biowin2 (Non-Linear Model) : 0.0910

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6031 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4835 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3773

Biowin6 (MITI Non-Linear Model): 0.1591

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5873

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 6.77E+003 Pa (50.8 mm Hg)

Log Koa (Koawin est ): 3.063

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

Mackay model : 4.43E-010

Octanol/air (Koa) model: 2.84E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.6E-008

Mackay model : 3.54E-008

Octanol/air (Koa) model: 2.27E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.8481 E-12 cm3/molecule-sec

Half-Life = 12.612 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.57E-008 (Junge-Pankow, Mackay avg)

2.27E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 60.7 L/kg (MCI method)

Log Koc: 1.783 (MCI method)

Koc : 89.61 L/kg (Kow method)

Log Koc: 1.952 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 2.442E-011 L/mol-sec

Kb Half-Life at pH 8: 8.993E+008 years

Kb Half-Life at pH 7: 8.993E+009 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.151 (BCF = 14.16 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3359 days (HL = 0.4614 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.240 (BCF = 17.39)

Log BAF Arnot-Gobas method (upper trophic) = 1.240 (BAF = 17.39)

log Kow used: 2.25 (estimated)

Volatilization from Water:

Henry LC: 0.00376 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.25 hours

Half-Life from Model Lake : 102.8 hours (4.282 days)

Removal In Wastewater Treatment:

Total removal: 60.44 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 1.39 percent

Total to Air: 59.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 36.3 303 1000

Water 44 900 1000

Soil 19.5 1.8e+003 1000

Sediment 0.211 8.1e+003 0

Persistence Time: 188 hr

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