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CAS Number: 8012-95-1


CHEM : Paraffin oils

MOL FOR: C12 H26

MOL WT : 170.34

------------------------------ 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) = 6.23

Log Kow (Exper. database match) = 6.10

Exper. Ref: COATES,M ET AL. (1985)

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

Boiling Pt (deg C): 205.71 (Adapted Stein & Brown method)

Melting Pt (deg C): -20.85 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.236 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 31.5 (Mean VP of Antoine & Grain methods)

MP (exp database): -9.6 deg C

BP (exp database): 216.3 deg C

VP (exp database): 1.35E-01 mm Hg (1.80E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.1099

log Kow used: 6.10 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.0037 mg/L (25 deg C)

Exper. Ref: KERTES,AS (1989)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0092579 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.35E+000 atm-m3/mole (9.47E+005 Pa-m3/mole)

Group Method: 1.34E+001 atm-m3/mole (1.36E+006 Pa-m3/mole)

Exper Database: 8.18E+00 atm-m3/mole (8.29E+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: 4.813E-001 atm-m3/mole (4.877E+004 Pa-m3/mole)

VP: 0.236 mm Hg (source: MPBPVP)

WS: 0.11 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.10 (exp database)

Log Kaw used: 2.524 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.576

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8833

Biowin2 (Non-Linear Model) : 0.9863

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4194 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1401 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7004

Biowin6 (MITI Non-Linear Model): 0.8746

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3014

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.0705

BioHC Half-Life (days) : 11.7613

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

Vapor pressure (liquid/subcooled): 18 Pa (0.135 mm Hg)

Log Koa (Koawin est ): 3.576

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

Mackay model : 1.67E-007

Octanol/air (Koa) model: 9.25E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.02E-006

Mackay model : 1.33E-005

Octanol/air (Koa) model: 7.4E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.9366 E-12 cm3/molecule-sec

Half-Life = 0.767 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.210 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.68E-006 (Junge-Pankow, Mackay avg)

7.4E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4818 L/kg (MCI method)

Log Koc: 3.683 (MCI method)

Koc : 1.967E+005 L/kg (Kow method)

Log Koc: 5.294 (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 = 2.317 (BCF = 207.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7012 days (HL = 5.026 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.777 (BCF = 597.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.859 (BAF = 723.4)

log Kow used: 6.10 (expkow database)

Volatilization from Water:

Henry LC: 8.18 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.332 hours

Half-Life from Model Lake : 124 hours (5.165 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.94 percent

Total biodegradation: 0.18 percent

Total sludge adsorption: 59.00 percent

Total to Air: 40.76 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 22.4 18.1 1000

Water 69 208 1000

Soil 2.51 416 1000

Sediment 6.15 1.87e+003 0

Persistence Time: 72.1 hr

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