BT

The Good Scents Company Information Listings

This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet

CAS Number: 102-81-8

SMILES : OCCN(CCCC)CCCC

CHEM : Ethanol, 2-(dibutylamino)-

MOL FOR: C10 H23 N1 O1

MOL WT : 173.30

------------------------------ 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) = 2.01

Log Kow (Exper. database match) = 2.65

Exper. Ref: BIOBYTE STARLIST (2009)

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

Boiling Pt (deg C): 255.76 (Adapted Stein & Brown method)

Melting Pt (deg C): 29.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0124 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.65 (Mean VP of Antoine & Grain methods)

MP (exp database): -75 deg C

BP (exp database): 229 deg C

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

Water Solubility at 25 deg C (mg/L): 3297

log Kow used: 2.65 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4000 mg/L (25 deg C)

Exper. Ref: KIRK-OTHMER; 4th ed, 2:3 (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 13028 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 9.70E-009 atm-m3/mole (9.83E-004 Pa-m3/mole)

Group Method: 1.02E-008 atm-m3/mole (1.03E-003 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: 8.576E-007 atm-m3/mole (8.690E-002 Pa-m3/mole)

VP: 0.0124 mm Hg (source: MPBPVP)

WS: 3.3E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.65 (exp database)

Log Kaw used: -6.402 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.052

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8354

Biowin2 (Non-Linear Model) : 0.9581

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3180 (days-weeks )

Biowin4 (Primary Survey Model) : 3.9773 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6690

Biowin6 (MITI Non-Linear Model): 0.7617

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6927

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): 1.53 Pa (0.0115 mm Hg)

Log Koa (Koawin est ): 9.052

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

Mackay model : 1.96E-006

Octanol/air (Koa) model: 0.000277

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.07E-005

Mackay model : 0.000156

Octanol/air (Koa) model: 0.0217

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 107.6712 E-12 cm3/molecule-sec

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

Half-Life = 1.192 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000114 (Junge-Pankow, Mackay avg)

0.0217 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 49.12 L/kg (MCI method)

Log Koc: 1.691 (MCI method)

Koc : 82.05 L/kg (Kow method)

Log Koc: 1.914 (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 = 1.415 (BCF = 26.03 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2595 days (HL = 0.05501 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.164 (BCF = 14.6)

Log BAF Arnot-Gobas method (upper trophic) = 1.164 (BAF = 14.6)

log Kow used: 2.65 (expkow database)

Volatilization from Water:

Henry LC: 1.02E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 7.556E+004 hours (3149 days)

Half-Life from Model Lake : 8.245E+005 hours (3.435E+004 days)

Removal In Wastewater Treatment:

Total removal: 3.60 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.50 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 0.178 2.38 1000

Water 26.1 208 1000

Soil 73.6 416 1000

Sediment 0.0906 1.87e+003 0

Persistence Time: 346 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy