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CAS Number: 57-15-8


CHEM : 2-Propanol, 1,1,1-trichloro-2-methyl-


MOL WT : 177.46

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 2.09

Log Kow (Exper. database match) = 2.03

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 158.58 (Adapted Stein & Brown method)

Melting Pt (deg C): -1.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0918 (Modified Grain method)

VP (Pa, 25 deg C) : 12.2 (Modified Grain method)

MP (exp database): 97 deg C

BP (exp database): 167 deg C

Subcooled liquid VP: 0.459 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 3385

log Kow used: 2.03 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 8000 mg/L (20 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9256 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Halo Alcohols

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

Bond Method : 2.75E-007 atm-m3/mole (2.79E-002 Pa-m3/mole)

Group Method: 3.97E-007 atm-m3/mole (4.02E-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: 6.332E-006 atm-m3/mole (6.416E-001 Pa-m3/mole)

VP: 0.0918 mm Hg (source: MPBPVP)

WS: 3.39E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.03 (exp database)

Log Kaw used: -4.949 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.979

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0390

Biowin2 (Non-Linear Model) : 0.0002

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.8632 (months )

Biowin4 (Primary Survey Model) : 2.9830 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3235

Biowin6 (MITI Non-Linear Model): 0.0247

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0355

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): 61.2 Pa (0.459 mm Hg)

Log Koa (Koawin est ): 6.979

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

Mackay model : 4.9E-008

Octanol/air (Koa) model: 2.34E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.77E-006

Mackay model : 3.92E-006

Octanol/air (Koa) model: 0.000187

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.1736 E-12 cm3/molecule-sec

Half-Life = 9.114 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 109.366 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.85E-006 (Junge-Pankow, Mackay avg)

0.000187 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.465 L/kg (MCI method)

Log Koc: 0.976 (MCI method)

Koc : 43.3 L/kg (Kow method)

Log Koc: 1.637 (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 v3.01):

Log BCF from regression-based method = 1.006 (BCF = 10.15 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3926 days (HL = 0.405 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.043 (BCF = 11.05)

Log BAF Arnot-Gobas method (upper trophic) = 1.043 (BAF = 11.05)

log Kow used: 2.03 (expkow database)

Volatilization from Water:

Henry LC: 3.97E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1966 hours (81.91 days)

Half-Life from Model Lake : 2.156E+004 hours (898.3 days)

Removal In Wastewater Treatment:

Total removal: 2.30 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.18 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 1.9 219 1000

Water 41.9 1.44e+003 1000

Soil 56.1 2.88e+003 1000

Sediment 0.1 1.3e+004 0

Persistence Time: 995 hr

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