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CAS Num: 000078-78-4


CHEM : Butane, 2-methyl-


MOL WT : 72.15

------------------------------ 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) = 2.72

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

Boiling Pt (deg C): 30.18 (Adapted Stein & Brown method)

Melting Pt (deg C): -119.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 688 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 9.18E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -159.9 deg C

BP (exp database): 27.8 deg C

VP (exp database): 6.89E+02 mm Hg (9.19E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 184.6

log Kow used: 2.72 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 48 mg/L (25 deg C)

Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 37.742 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.29E+000 atm-m3/mole (1.30E+005 Pa-m3/mole)

Group Method: 1.44E+000 atm-m3/mole (1.46E+005 Pa-m3/mole)

Exper Database: 1.40E+00 atm-m3/mole (1.42E+005 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: 3.538E-001 atm-m3/mole (3.585E+004 Pa-m3/mole)

VP: 688 mm Hg (source: MPBPVP)

WS: 185 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.72 (KowWin est)

Log Kaw used: 1.758 (exp database)

Log Koa (KOAWIN v1.10 estimate): 0.962

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7132

Biowin2 (Non-Linear Model) : 0.8791

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0397 (weeks )

Biowin4 (Primary Survey Model) : 3.7436 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4975

Biowin6 (MITI Non-Linear Model): 0.6965

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4575

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.5565

BioHC Half-Life (days) : 3.6017

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

Vapor pressure (liquid/subcooled): 9.19E+004 Pa (689 mm Hg)

Log Koa (Koawin est ): 0.962

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

Mackay model : 3.27E-011

Octanol/air (Koa) model: 2.25E-012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.18E-009

Mackay model : 2.61E-009

Octanol/air (Koa) model: 1.8E-010

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 4.0369 E-12 cm3/molecule-sec

Half-Life = 2.650 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 31.795 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.9E-009 (Junge-Pankow, Mackay avg)

1.8E-010 (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 : 229.2 L/kg (Kow method)

Log Koc: 2.360 (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 = 1.464 (BCF = 29.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3168 days (HL = 0.4822 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.638 (BCF = 43.5)

Log BAF Arnot-Gobas method (upper trophic) = 1.638 (BAF = 43.5)

log Kow used: 2.72 (estimated)

Volatilization from Water:

Henry LC: 1.4 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 0.8671 hours (52.03 min)

Half-Life from Model Lake : 80.68 hours (3.362 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.82 percent

Total biodegradation: 0.02 percent

Total sludge adsorption: 1.46 percent

Total to Air: 98.33 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 39 65.8 1000

Water 60 360 1000

Soil 0.754 720 1000

Sediment 0.259 3.24e+003 0

Persistence Time: 102 hr

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