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CAS Number: 94-24-6

SMILES : c1cc(NCCCC)ccc1C(=O)OCCN(C)C

CHEM : Tetracaine

MOL FOR: C15 H24 N2 O2

MOL WT : 264.37

------------------------------ 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) = 3.02

Log Kow (Exper. database match) = 3.51

Exper. Ref: AVDEEF,A (1997)

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

Boiling Pt (deg C): 350.07 (Adapted Stein & Brown method)

Melting Pt (deg C): 111.18 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.87E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00249 (Modified Grain method)

Subcooled liquid VP: 0.000131 mm Hg (25 deg C, Mod-Grain method)

: 0.0175 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 201.4

log Kow used: 3.51 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 432.51 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

Esters

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

Bond Method : 4.15E-011 atm-m3/mole (4.20E-006 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 3.230E-008 atm-m3/mole (3.273E-003 Pa-m3/mole)

VP: 1.87E-005 mm Hg (source: MPBPVP)

WS: 201 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.51 (exp database)

Log Kaw used: -8.770 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.280

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4653

Biowin2 (Non-Linear Model) : 0.7404

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6637 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5680 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3080

Biowin6 (MITI Non-Linear Model): 0.1151

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1530

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): 0.0175 Pa (0.000131 mm Hg)

Log Koa (Koawin est ): 12.280

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

Mackay model : 0.000172

Octanol/air (Koa) model: 0.468

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00617

Mackay model : 0.0136

Octanol/air (Koa) model: 0.974

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 108.2548 E-12 cm3/molecule-sec

Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.186 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00986 (Junge-Pankow, Mackay avg)

0.974 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 488.7 L/kg (MCI method)

Log Koc: 2.689 (MCI method)

Koc : 492.3 L/kg (Kow method)

Log Koc: 2.692 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.249E-003 L/mol-sec

Kb Half-Life at pH 8: 5.169 years

Kb Half-Life at pH 7: 51.688 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.983 (BCF = 96.14 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4405 days (HL = 0.03627 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.185 (BCF = 15.31)

Log BAF Arnot-Gobas method (upper trophic) = 1.185 (BAF = 15.31)

log Kow used: 3.51 (expkow database)

Volatilization from Water:

Henry LC: 4.15E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.294E+007 hours (9.558E+005 days)

Half-Life from Model Lake : 2.502E+008 hours (1.043E+007 days)

Removal In Wastewater Treatment:

Total removal: 13.26 percent

Total biodegradation: 0.19 percent

Total sludge adsorption: 13.08 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.000317 2.37 1000

Water 12.6 900 1000

Soil 87.1 1.8e+003 1000

Sediment 0.34 8.1e+003 0

Persistence Time: 1.79e+003 hr

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