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CAS Number: 10203-30-2

SMILES : OC(CC)CCCCCCCCC

CHEM : 3-DODECANOL

MOL FOR: C12 H26 O1

MOL WT : 186.34

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 4.70

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

Boiling Pt (deg C): 257.51 (Adapted Stein & Brown method)

Melting Pt (deg C): 17.18 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.002 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.267 (Mean VP of Antoine & Grain methods)

MP (exp database): 25 deg C

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

Water Solubility at 25 deg C (mg/L): 16.18

log Kow used: 4.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 13.078 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.63E-005 atm-m3/mole (9.76E+000 Pa-m3/mole)

Group Method: 2.56E-004 atm-m3/mole (2.60E+001 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: 3.031E-005 atm-m3/mole (3.071E+000 Pa-m3/mole)

VP: 0.002 mm Hg (source: MPBPVP)

WS: 16.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.70 (KowWin est)

Log Kaw used: -2.405 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.105

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9260

Biowin2 (Non-Linear Model) : 0.9652

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2457 (weeks )

Biowin4 (Primary Survey Model) : 3.9774 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7138

Biowin6 (MITI Non-Linear Model): 0.8760

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5600

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): 0.264 Pa (0.00198 mm Hg)

Log Koa (Koawin est ): 7.105

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

Mackay model : 1.14E-005

Octanol/air (Koa) model: 3.13E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00041

Mackay model : 0.000908

Octanol/air (Koa) model: 0.00025

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.9361 E-12 cm3/molecule-sec

Half-Life = 0.466 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.596 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000659 (Junge-Pankow, Mackay avg)

0.00025 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 371.8 L/kg (MCI method)

Log Koc: 2.570 (MCI method)

Koc : 1298 L/kg (Kow method)

Log Koc: 3.113 (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 = 1.391 (BCF = 24.62 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0823 days (HL = 0.8274 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.513 (BCF = 325.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.513 (BAF = 326.1)

log Kow used: 4.70 (estimated)

Volatilization from Water:

Henry LC: 9.63E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 9.692 hours

Half-Life from Model Lake : 220.2 hours (9.175 days)

Removal In Wastewater Treatment:

Total removal: 66.79 percent

Total biodegradation: 0.58 percent

Total sludge adsorption: 64.74 percent

Total to Air: 1.46 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.36 11.2 1000

Water 22.4 360 1000

Soil 75.9 720 1000

Sediment 0.345 3.24e+003 0

Persistence Time: 423 hr

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